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

C19H14N4O — CID 174669259

IUPACbis(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H14N4O/c24-19(17-11-15(20-22-17)13-7-3-1-4-8-13)18-12-16(21-23-18)14-9-5-2-6-10-14/h1-12H,(H,20,22)(H,21,23)
InChIKeyQBPOCLCLQLOKQO-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.70
Rot. Bonds4

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

bis(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 174669259) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is bis(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Namebis(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID174669259
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Namebis(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H14N4O/c24-19(17-11-15(20-22-17)13-7-3-1-4-8-13)18-12-16(21-23-18)14-9-5-2-6-10-14/h1-12H,(H,20,22)(H,21,23)
InChIKeyQBPOCLCLQLOKQO-UHFFFAOYSA-N
XLogP3.70
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
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N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
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N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870925
N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide
CID 82723163
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 79377189
(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403052

Frequently Asked Questions

What is the IUPAC name of bis(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of bis(3-phenyl-1H-pyrazol-5-yl)methanone (CID 174669259) is bis(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for bis(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for bis(3-phenyl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccccc2)n[nH]1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of bis(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is QBPOCLCLQLOKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c24-19(17-11-15(20-22-17)13-7-3-1-4-8-13)18-12-16(21-23-18)14-9-5-2-6-10-14/h1-12H,(H,20,22)(H,21,23).
What are the key properties of bis(3-phenyl-1H-pyrazol-5-yl)methanone?
bis(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 314.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 174669259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).