[3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone

C19H15FN2O2 — CID 680939

IUPAC[3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone
SMILESCc1ccc(C(=O)c2ccn(C(=O)c3ccc(F)cc3)n2)c(C)c1
InChIInChI=1S/C19H15FN2O2/c1-12-3-8-16(13(2)11-12)18(23)17-9-10-22(21-17)19(24)14-4-6-15(20)7-5-14/h3-11H,1-2H3
InChIKeyXNRMQSNQFCESPA-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.56
Rot. Bonds3

About [3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone

[3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone (PubChem CID 680939) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is [3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone
PubChem CID680939
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name[3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone
SMILESCc1ccc(C(=O)c2ccn(C(=O)c3ccc(F)cc3)n2)c(C)c1
InChIInChI=1S/C19H15FN2O2/c1-12-3-8-16(13(2)11-12)18(23)17-9-10-22(21-17)19(24)14-4-6-15(20)7-5-14/h3-11H,1-2H3
InChIKeyXNRMQSNQFCESPA-UHFFFAOYSA-N
XLogP3.56
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone (CID 680939) is [3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone is Cc1ccc(C(=O)c2ccn(C(=O)c3ccc(F)cc3)n2)c(C)c1.
What is the InChIKey of [3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is XNRMQSNQFCESPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-12-3-8-16(13(2)11-12)18(23)17-9-10-22(21-17)19(24)14-4-6-15(20)7-5-14/h3-11H,1-2H3.
What are the key properties of [3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone?
[3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 322.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dimethylbenzoyl)pyrazol-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 680939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).