Name: Name:1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01BDJO
Rating: 90 (10 reviews)

1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid

CAS No.:

936129-68-9

Catalog Number:

AG01BDJO

Molecular Formula:

C14H16N2O2

Molecular Weight:

244.2890

Catalog Number:

AG01BDJO

Chemical Name:

1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylic acid

CAS Number:

936129-68-9

Molecular Formula:

C14H16N2O2

Molecular Weight:

244.2890

MDL Number:

MFCD10451914

IUPAC Name:

1-tert-butyl-5-phenylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C14H16N2O2/c1-14(2,3)16-12(10-7-5-4-6-8-10)11(9-15-16)13(17)18/h4-9H,1-3H3,(H,17,18)

InChI Key:

SIRDLRVZQORBGV-UHFFFAOYSA-N

SMILES:

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

Complexity:

305

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:

2.3