CAS 37622-90-5|ethyl 1H-pyrazole-4-carboxylate|ethyl 1H-pyrazole-4-carboxylate|Ethyl 1H-pyrazole-4-carboxylate hydrochloride|Ethyl 1H-pyrazole-4-carboxylate 98+%|4-(Ethoxycarbonyl)-1H-pyrazole|4-Eth...

General Information

Structure

Molecular Formula

C₆H₈N₂O₂

Molecular Mass

140.13992

Exact Mass

140.05857751

Charge

InChI

InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)

InChIKey

KACZQOKEFKFNDB-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)c1c[nH]nc1

Isomeric Smiles

c1(C(=O)OCC)c[nH]nc1

Calculated Properties

JChem

Acid pKa

8.891499

H Acceptors

H Donor

LogD (pH = 5.5)

0.63752764

LogD (pH = 7.4)

0.6240345

Log P

0.63771474

Molar Refractivity

36.5193

Polarizability

13.462251

Polar Surface Area

54.98

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

ethyl 1H-pyrazole-4-carboxylate

IUPAC name

ethyl 1H-pyrazole-4-carboxylate

Synonyms

Ethyl 1H-pyrazole-4-carboxylate hydrochlorideEthyl 1H-pyrazole-4-carboxylate 98+%4-(Ethoxycarbonyl)-1H-pyrazole4-Ethoxycarbonyl-1H-pyrazoleEthyl 1H-Pyrazole-4-carboxylateEthyl 4-Pyrazolecarboxylate4-Pyrazolecarboxylic Acid Ethyl EsterEthyl 4-pyrazolecarboxylateethyl 1H-pyrazole-4-carboxylateEthyl 4-pyrazolecarboxylate4-吡唑甲酸乙酯

Names and Identifiers

Registration numbers

MDL Number

MFCD00010844MFCD16038569

CAS Number

37622-90-5

PubChem SID

16206010624857940

PubChem CID

142179

Registration numbers

Properties