(3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone

C17H14N2O — CID 43340191

IUPAC(3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone
SMILESCc1cccc(C(=O)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H14N2O/c1-13-6-5-7-14(10-13)17(20)15-11-18-19(12-15)16-8-3-2-4-9-16/h2-12H,1H3
InChIKeyMWVYRVMOHOYCFY-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.41
Rot. Bonds3

About (3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone

(3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone (PubChem CID 43340191) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone
PubChem CID43340191
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone
SMILESCc1cccc(C(=O)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H14N2O/c1-13-6-5-7-14(10-13)17(20)15-11-18-19(12-15)16-8-3-2-4-9-16/h2-12H,1H3
InChIKeyMWVYRVMOHOYCFY-UHFFFAOYSA-N
XLogP3.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of (3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone (CID 43340191) is (3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone is Cc1cccc(C(=O)c2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of (3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is MWVYRVMOHOYCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-13-6-5-7-14(10-13)17(20)15-11-18-19(12-15)16-8-3-2-4-9-16/h2-12H,1H3.
What are the key properties of (3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone?
(3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 43340191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).