1,1'-biphenyl;1H-pyrazole-4-carboxylic acid

C16H14N2O2 — CID 174549256

IUPAC1,1'-biphenyl;1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H4N2O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-4(8)3-1-5-6-2-3/h1-10H;1-2H,(H,5,6)(H,7,8)
InChIKeyVNGVAZJPBGGYRO-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.46
Rot. Bonds2

About 1,1'-biphenyl;1H-pyrazole-4-carboxylic acid

1,1'-biphenyl;1H-pyrazole-4-carboxylic acid (PubChem CID 174549256) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1,1'-biphenyl;1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,1'-biphenyl;1H-pyrazole-4-carboxylic acid
PubChem CID174549256
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1,1'-biphenyl;1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H4N2O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-4(8)3-1-5-6-2-3/h1-10H;1-2H,(H,5,6)(H,7,8)
InChIKeyVNGVAZJPBGGYRO-UHFFFAOYSA-N
XLogP3.46
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenyl-1H-pyrazole-4-carboxamide
CID 91240587
methanamine;4-phenyl-1H-pyrazole
CID 174608925
1H-pyrazole-4-carboxylate
CID 7004927
1H-pyrazole-4-carboxamide;hydrochloride
CID 68722047
1H-pyrazole-4-carboxamide;trihydrochloride
CID 155658869
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 43565594
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide
CID 113356455
(1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone
CID 114990512
[2-(trifluoromethoxy)phenyl] 1H-pyrazole-4-carboxylate
CID 91617400
(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 62069692
N-(2-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532862
N-(2-aminophenyl)-1H-pyrazole-4-carboxamide
CID 43600055

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1H-pyrazole-4-carboxylic acid?
The IUPAC name of 1,1'-biphenyl;1H-pyrazole-4-carboxylic acid (CID 174549256) is 1,1'-biphenyl;1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 1,1'-biphenyl;1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 1,1'-biphenyl;1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1H-pyrazole-4-carboxylic acid?
The InChIKey is VNGVAZJPBGGYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C4H4N2O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-4(8)3-1-5-6-2-3/h1-10H;1-2H,(H,5,6)(H,7,8).
What are the key properties of 1,1'-biphenyl;1H-pyrazole-4-carboxylic acid?
1,1'-biphenyl;1H-pyrazole-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 174549256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).