[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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Related Compounds

1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 716930
1-(2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)benzyl)indoline-2,3-dione
CID 44251556
N-[(E)-1-[4-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]-1-methylpyrazole-3-carboxamide
CID 7695693
(1H-pyrazol-1-yl)(o-tolyl)methanone
CID 685230
1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811854
4-[5-[[3-Fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpyrazol-3-yl]-2-methylbenzamide
CID 56651044
1-[4-(4-methylbenzoyl)-1-phenyl-1H-pyrazol-3-yl]ethanone
CID 1214550
{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}(2-fluoro-4-biphenylyl)methanone
CID 16190887
{1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]piperidin-3-yl}(1-naphthyl)methanone
CID 16190944
1-(2,6-difluoro-4-(1-methyl-1H-pyrazol-4-yl)benzyl)indoline-2,3-dione
CID 44251555
N-{2-[2-(3,4-Dimethylphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-2-(3-fluorophenyl)acetamide
CID 91892839
1-[(3,4-difluorophenyl)methyl]-N-[(4-propan-2-ylphenyl)methyl]pyrazole-3-carboxamide
CID 145977296

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).