phenyl-(3-phenyl-1H-pyrazol-5-yl)methanone

C16H12N2O — CID 619103

IUPACphenyl-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccccc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H12N2O/c19-16(13-9-5-2-6-10-13)15-11-14(17-18-15)12-7-3-1-4-8-12/h1-11H,(H,17,18)
InChIKeyBYMFTVXGWWUGPO-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.31
Rot. Bonds3

About phenyl-(3-phenyl-1H-pyrazol-5-yl)methanone

phenyl-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 619103) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is phenyl-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Namephenyl-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID619103
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Namephenyl-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccccc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H12N2O/c19-16(13-9-5-2-6-10-13)15-11-14(17-18-15)12-7-3-1-4-8-12/h1-11H,(H,17,18)
InChIKeyBYMFTVXGWWUGPO-UHFFFAOYSA-N
XLogP3.31
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Indazole-3-carboxamide
CID 20978176
(E)-3-cyclopropyl-N'-((E)-3-phenylallylidene)-1H-pyrazole-5-carbohydrazide
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3-Isopropyl-N'-(3-phenyl-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 1606508
N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870913
3-phenyl-1H-pyrazole-5-carbohydrazide
CID 727014
N'-benzoyl-1H-indazole-3-carbohydrazide
CID 4789701
5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 6888929
5-cyclopropyl-N-(1-phenylpropylideneamino)-1H-pyrazole-3-carboxamide
CID 9616968
4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid benzylidene-hydrazide
CID 6864069
2,2,2-trifluoro-1-[4-(6-fluoro-1H-indazol-3-yl)phenyl]ethanone
CID 155424830
5-Methyl-2H-pyrazole-3-carboxylic acid (1-biphenyl-4-yl-ethylidene)-hydrazide
CID 9592732
N'-Benzylidene-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 6867349

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of phenyl-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 619103) is phenyl-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for phenyl-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for phenyl-(3-phenyl-1H-pyrazol-5-yl)methanone is O=C(c1ccccc1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of phenyl-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is BYMFTVXGWWUGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16(13-9-5-2-6-10-13)15-11-14(17-18-15)12-7-3-1-4-8-12/h1-11H,(H,17,18).
What are the key properties of phenyl-(3-phenyl-1H-pyrazol-5-yl)methanone?
phenyl-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 248.29 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 619103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).