Name: Name:1-(2-methylpropyl)-5-phenyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01BDNW
Rating: 90 (10 reviews)

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

CAS No.:

1306678-23-8

Catalog Number:

AG01BDNW

Molecular Formula:

C14H16N2O2

Molecular Weight:

244.2890

Catalog Number:

AG01BDNW

Chemical Name:

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

CAS Number:

1306678-23-8

Molecular Formula:

C14H16N2O2

Molecular Weight:

244.2890

MDL Number:

MFCD13471355

IUPAC Name:

1-(2-methylpropyl)-5-phenylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C14H16N2O2/c1-10(2)9-16-13(11-6-4-3-5-7-11)12(8-15-16)14(17)18/h3-8,10H,9H2,1-2H3,(H,17,18)

InChI Key:

IPVWBFZNUFPKEI-UHFFFAOYSA-N

SMILES:

CC(Cn1ncc(c1c1ccccc1)C(=O)O)C

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

244.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

244.294g/mol

Monoisotopic Mass:

244.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7