Name: Name:1H-Pyrazole-4-carboxylic acid, 5-(1-methylethyl)-1-phenyl-
Brand: Angene
SKU: AG000C9U
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxylic acid, 5-(1-methylethyl)-1-phenyl-

CAS No.:

116344-18-4

Catalog Number:

AG000C9U

Molecular Formula:

C13H14N2O2

Molecular Weight:

230.2625

Catalog Number:

AG000C9U

Chemical Name:

1H-Pyrazole-4-carboxylic acid, 5-(1-methylethyl)-1-phenyl-

CAS Number:

116344-18-4

Molecular Formula:

C13H14N2O2

Molecular Weight:

230.2625

MDL Number:

MFCD07357362

IUPAC Name:

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

InChI:

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

InChI Key:

MQUOHNQYSXJILW-UHFFFAOYSA-N

SMILES:

CC(c1c(cnn1c1ccccc1)C(=O)O)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:

2.6