Name: Name:5-phenyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01BDNX
Rating: 90 (10 reviews)

5-phenyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1308236-66-9

Catalog Number:

AG01BDNX

Molecular Formula:

C13H14N2O2

Molecular Weight:

230.2625

Catalog Number:

AG01BDNX

Chemical Name:

5-phenyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1308236-66-9

Molecular Formula:

C13H14N2O2

Molecular Weight:

230.2625

MDL Number:

MFCD13471356

IUPAC Name:

5-phenyl-1-propan-2-ylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C13H14N2O2/c1-9(2)15-12(10-6-4-3-5-7-10)11(8-14-15)13(16)17/h3-9H,1-2H3,(H,16,17)

InChI Key:

WZOJXPDBRDXLHM-UHFFFAOYSA-N

SMILES:

OC(=O)c1cnn(c1c1ccccc1)C(C)C

Complexity:

275

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.267g/mol

Monoisotopic Mass:

230.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1