(2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone

C17H13FN2O — CID 105095971

IUPAC(2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone
SMILESCc1ccc(F)c(C(=O)c2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C17H13FN2O/c1-12-7-8-15(18)14(11-12)17(21)16-9-10-20(19-16)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyQVRLYJJLUFTSBE-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.55
Rot. Bonds3

About (2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone

(2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone (PubChem CID 105095971) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone
PubChem CID105095971
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name(2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone
SMILESCc1ccc(F)c(C(=O)c2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C17H13FN2O/c1-12-7-8-15(18)14(11-12)17(21)16-9-10-20(19-16)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyQVRLYJJLUFTSBE-UHFFFAOYSA-N
XLogP3.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone (CID 105095971) is (2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone is Cc1ccc(F)c(C(=O)c2ccn(-c3ccccc3)n2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone?
The InChIKey is QVRLYJJLUFTSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-12-7-8-15(18)14(11-12)17(21)16-9-10-20(19-16)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone?
(2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone has a molecular weight of 280.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(1-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 105095971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).