(2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone

C10H6ClFN2O — CID 135008562

IUPAC(2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccccc1Cl)c1[nH]ncc1F
InChIInChI=1S/C10H6ClFN2O/c11-7-4-2-1-3-6(7)10(15)9-8(12)5-13-14-9/h1-5H,(H,13,14)
InChIKeyABHVSISEXVTQSI-UHFFFAOYSA-N
MW224.62 g/mol
LogP2.43
Rot. Bonds2

About (2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone

(2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone (PubChem CID 135008562) has the molecular formula C10H6ClFN2O and a molecular weight of 224.62 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone
PubChem CID135008562
Molecular FormulaC10H6ClFN2O
Molecular Weight224.62 g/mol
Exact Mass224.02
IUPAC Name(2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccccc1Cl)c1[nH]ncc1F
InChIInChI=1S/C10H6ClFN2O/c11-7-4-2-1-3-6(7)10(15)9-8(12)5-13-14-9/h1-5H,(H,13,14)
InChIKeyABHVSISEXVTQSI-UHFFFAOYSA-N
XLogP2.43
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.62
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-1H-pyrazol-5-yl)-phenylmethanone
CID 135008243
(2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 15869682
(4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone
CID 135053389
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
(2-bromo-3,4-difluorophenyl)-(2-chlorophenyl)methanone
CID 107537912
(2-chlorophenyl)-(2-fluoro-4-methylphenyl)methanone
CID 114963346
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
(2-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanone
CID 105081414
4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 63107036
1-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-yn-1-one
CID 166445967
2-(2,6-dichlorophenyl)-1-(2-fluorophenyl)ethanone
CID 62500601
(2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299171

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone (CID 135008562) is (2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone is O=C(c1ccccc1Cl)c1[nH]ncc1F.
What is the InChIKey of (2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone?
The InChIKey is ABHVSISEXVTQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O/c11-7-4-2-1-3-6(7)10(15)9-8(12)5-13-14-9/h1-5H,(H,13,14).
What are the key properties of (2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone?
(2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone has a molecular weight of 224.62 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 135008562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).