(1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone

C14H12N4O — CID 105101057

IUPAC(1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone
SMILESCn1ccnc1C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H12N4O/c1-17-10-8-15-14(17)13(19)12-7-9-18(16-12)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyCEMOMMVYWJZMNE-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.84
Rot. Bonds3

About (1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone

(1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone (PubChem CID 105101057) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone
PubChem CID105101057
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name(1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone
SMILESCn1ccnc1C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H12N4O/c1-17-10-8-15-14(17)13(19)12-7-9-18(16-12)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyCEMOMMVYWJZMNE-UHFFFAOYSA-N
XLogP1.84
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873
3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
CID 60988552
(2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone
CID 105095971
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 55651703
(3-bromofuran-2-yl)-(1-phenylpyrazol-3-yl)methanone
CID 105101622
(1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanone
CID 60660103
(1-methylimidazol-2-yl)-naphthalen-2-ylmethanone
CID 60660061
3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one
CID 103024371
1-phenylpyrazole-3-carbonyl isocyanate
CID 103512953
1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 52638173
(1-methylimidazol-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105101077
N-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole-3-carboxamide
CID 82723479

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone?
The IUPAC name of (1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone (CID 105101057) is (1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone is Cn1ccnc1C(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of (1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone?
The InChIKey is CEMOMMVYWJZMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-17-10-8-15-14(17)13(19)12-7-9-18(16-12)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of (1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone?
(1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone has a molecular weight of 252.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(1-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 105101057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).