Name: Name:1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester
Brand: Angene
SKU: AG00B2LE
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester

CAS No.:

1572-13-0

Catalog Number:

AG00B2LE

Molecular Formula:

C5H8N4O2

Molecular Weight:

156.1426

Catalog Number:

AG00B2LE

Chemical Name:

1H-Pyrazole-4-carboxylic acid, 3,5-diamino-, methyl ester

CAS Number:

1572-13-0

Molecular Formula:

C5H8N4O2

Molecular Weight:

156.1426

MDL Number:

MFCD12405564

IUPAC Name:

methyl 3,5-diamino-1H-pyrazole-4-carboxylate

InChI:

InChI=1S/C5H8N4O2/c1-11-5(10)2-3(6)8-9-4(2)7/h1H3,(H5,6,7,8,9)

InChI Key:

DBRGFYZSJHOBGU-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(N)n[nH]c1N

NSC Number:

625015

Complexity:

163

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

156.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

156.145g/mol

Monoisotopic Mass:

156.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1