Name: Name:1H-Pyrazole-4-carboxylic acid, 3-propyl-, ethyl ester
Brand: Angene
SKU: AG000KH3
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxylic acid, 3-propyl-, ethyl ester

CAS No.:

123374-28-7

Catalog Number:

AG000KH3

Molecular Formula:

C9H14N2O2

Molecular Weight:

182.2197

Catalog Number:

AG000KH3

Chemical Name:

1H-Pyrazole-4-carboxylic acid, 3-propyl-, ethyl ester

CAS Number:

123374-28-7

Molecular Formula:

C9H14N2O2

Molecular Weight:

182.2197

MDL Number:

MFCD01570118

IUPAC Name:

ethyl 5-propyl-1H-pyrazole-4-carboxylate

InChI:

InChI=1S/C9H14N2O2/c1-3-5-8-7(6-10-11-8)9(12)13-4-2/h6H,3-5H2,1-2H3,(H,10,11)

InChI Key:

CNHUAGMMONCJCE-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1c[nH]nc1CCC

Complexity:

173

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.223g/mol

Monoisotopic Mass:

182.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6