(3-methylphenyl)-(3-methylpyrazol-1-yl)methanone

C12H12N2O — CID 917594

IUPAC(3-methylphenyl)-(3-methylpyrazol-1-yl)methanone
SMILESCc1cccc(C(=O)n2ccc(C)n2)c1
InChIInChI=1S/C12H12N2O/c1-9-4-3-5-11(8-9)12(15)14-7-6-10(2)13-14/h3-8H,1-2H3
InChIKeyVNYQXFXYOQNZEW-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.19
Rot. Bonds1

About (3-methylphenyl)-(3-methylpyrazol-1-yl)methanone

(3-methylphenyl)-(3-methylpyrazol-1-yl)methanone (PubChem CID 917594) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (3-methylphenyl)-(3-methylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(3-methylpyrazol-1-yl)methanone
PubChem CID917594
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(3-methylphenyl)-(3-methylpyrazol-1-yl)methanone
SMILESCc1cccc(C(=O)n2ccc(C)n2)c1
InChIInChI=1S/C12H12N2O/c1-9-4-3-5-11(8-9)12(15)14-7-6-10(2)13-14/h3-8H,1-2H3
InChIKeyVNYQXFXYOQNZEW-UHFFFAOYSA-N
XLogP2.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylphenyl)-(1,2,4-triazol-1-yl)methanone
CID 172733001
(5-amino-3-methylpyrazol-1-yl)-(3-methylphenyl)methanone
CID 110462429
bis(3-methylphenyl)methanone
CID 17848
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
3-methylbenzoic acid
CID 7418
(3-methylbenzoyl)azanium
CID 153183849
3-methylbenzenecarboselenoic Se-acid
CID 166513879
(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 39565886
(4,5-diphenylimidazol-1-yl)-(3-methylphenyl)methanone
CID 78582219
(3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone
CID 162671475

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(3-methylpyrazol-1-yl)methanone?
The IUPAC name of (3-methylphenyl)-(3-methylpyrazol-1-yl)methanone (CID 917594) is (3-methylphenyl)-(3-methylpyrazol-1-yl)methanone.
What is the SMILES notation for (3-methylphenyl)-(3-methylpyrazol-1-yl)methanone?
The canonical SMILES for (3-methylphenyl)-(3-methylpyrazol-1-yl)methanone is Cc1cccc(C(=O)n2ccc(C)n2)c1.
What is the InChIKey of (3-methylphenyl)-(3-methylpyrazol-1-yl)methanone?
The InChIKey is VNYQXFXYOQNZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-4-3-5-11(8-9)12(15)14-7-6-10(2)13-14/h3-8H,1-2H3.
What are the key properties of (3-methylphenyl)-(3-methylpyrazol-1-yl)methanone?
(3-methylphenyl)-(3-methylpyrazol-1-yl)methanone has a molecular weight of 200.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(3-methylpyrazol-1-yl)methanone is sourced from PubChem (CID 917594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).