CAS 38184-47-3|3,5-dimethyl-1H-pyrazole-1-carboximidamide; nitric acid|3,5-dimethyl-1H-pyrazole-1-carboximidamide nitrate|3,5-dimethylpyrazole-1-carboximidamide; nitric acid|3,5-二甲基吡唑-1-硝酸脒|...

General Information

Structure

Molecular Formula

C₆H₁₁N₅O₃

Molecular Mass

201.18324

Exact Mass

201.08618924

Charge

InChI

InChI=1S/C6H10N4.HNO3/c1-4-3-5(2)10(9-4)6(7)8;2-1(3)4/h3H,1-2H3,(H3,7,8);(H,2,3,4)

InChIKey

AGYXIUAGBLMBGV-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(nn1C(=N)N)C.[O-][N+](=O)O

Isomeric Smiles

n1(C(=N)N)nc(C)cc1C.[N+](=O)([O-])O

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.692648

LogD (pH = 7.4)

-2.6323001

Log P

-0.27801362

Molar Refractivity

60.6426

Polarizability

14.371986

Polar Surface Area

67.69

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

3,5-dimethyl-1H-pyrazole-1-carboximidamide; nitric acid

Synonyms

3,5-dimethyl-1H-pyrazole-1-carboximidamide nitrate3,5-二甲基吡唑-1-硝酸脒1-Amidino-3,5-dimethylpyrazole 硝酸盐3,5-二甲基吡唑-1-甲脒硝酸盐1-Amidino-3,5-dimethylpyrazole nitrate salt3,5-Dimethyl-1-pyrazolylformamidinium nitrate3,5-二甲基-1-吡唑硝酸甲脒1-Amidino-3,5-dimethylpyrazole nitrate3,5-Dimethyl-1-pyrazolylformaminidium nitrate3,5-二甲基吡唑-1-甲脒硝酸盐3,5-二甲基吡唑-1-硝酸咪3,5-Dimethylpyrazole-1-carboxamidine nitrate3,5-Dimethylpyrazole-1-carboxamidine nitrate salt

IUPAC Traditional name

3,5-dimethylpyrazole-1-carboximidamide; nitric acid 3,5-dimethylpyrazole-1-carboximidamide; acid, nitric

Names and Identifiers

Registration numbers

PubChem SID

2486600216206982824893552

EC Number

253-815-0

Beilstein Number

3599170

CAS Number

38184-47-3