(2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone

C15H12N4O — CID 107330211

IUPAC(2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
SMILESCc1nccc(C(=O)c2ccnn2-c2ccccc2)n1
InChIInChI=1S/C15H12N4O/c1-11-16-9-7-13(18-11)15(20)14-8-10-17-19(14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyVEJGNQDHEAXKQX-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.20
Rot. Bonds3

About (2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone

(2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone (PubChem CID 107330211) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
PubChem CID107330211
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name(2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
SMILESCc1nccc(C(=O)c2ccnn2-c2ccccc2)n1
InChIInChI=1S/C15H12N4O/c1-11-16-9-7-13(18-11)15(20)14-8-10-17-19(14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyVEJGNQDHEAXKQX-UHFFFAOYSA-N
XLogP2.20
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 107330077
(1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107977650
(5-fluoro-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330183
(2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331815
(3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330218
(2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331845
(2-bromo-4-methylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331774
(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
(3-iodophenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331809

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of (2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone (CID 107330211) is (2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone is Cc1nccc(C(=O)c2ccnn2-c2ccccc2)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is VEJGNQDHEAXKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-11-16-9-7-13(18-11)15(20)14-8-10-17-19(14)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of (2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone?
(2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone has a molecular weight of 264.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-4-yl)-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 107330211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).