(1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone

C14H12N4O — CID 107977650

IUPAC(1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone
SMILESCn1cnc(C(=O)c2ccnn2-c2ccccc2)c1
InChIInChI=1S/C14H12N4O/c1-17-9-12(15-10-17)14(19)13-7-8-16-18(13)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyZKZOTWFSQOQDLN-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.84
Rot. Bonds3

About (1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone

(1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone (PubChem CID 107977650) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone
PubChem CID107977650
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name(1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone
SMILESCn1cnc(C(=O)c2ccnn2-c2ccccc2)c1
InChIInChI=1S/C14H12N4O/c1-17-9-12(15-10-17)14(19)13-7-8-16-18(13)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyZKZOTWFSQOQDLN-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

(2-phenylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 107330077
(2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107330211
(5-fluoro-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330183
(3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330218
(2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331815
(2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331845
(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330104
(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330203
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331688
2-phenylpyrazole-3-carbothioamide
CID 83387115
(2-bromo-4-methylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331774
(3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331809

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of (1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone (CID 107977650) is (1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone is Cn1cnc(C(=O)c2ccnn2-c2ccccc2)c1.
What is the InChIKey of (1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is ZKZOTWFSQOQDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-17-9-12(15-10-17)14(19)13-7-8-16-18(13)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of (1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone?
(1-methylimidazol-4-yl)-(2-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-4-yl)-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 107977650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).