(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone

C13H12ClFN2O — CID 115803927

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H12ClFN2O/c1-3-17-12(10(14)7-16-17)13(18)9-5-4-8(2)6-11(9)15/h4-7H,3H2,1-2H3
InChIKeyIOPPXLUKYLJDEZ-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.23
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone

(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone (PubChem CID 115803927) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
PubChem CID115803927
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H12ClFN2O/c1-3-17-12(10(14)7-16-17)13(18)9-5-4-8(2)6-11(9)15/h4-7H,3H2,1-2H3
InChIKeyIOPPXLUKYLJDEZ-UHFFFAOYSA-N
XLogP3.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115805703
(2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 115803888
(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone
CID 114019163
(1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115810306
(4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105130288
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,4-difluorophenyl)methanone
CID 114639991
(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone
CID 57214416
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-methylphenyl)methanone
CID 106865161
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107967804
[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114642238
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967803
(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 114972492

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone (CID 115803927) is (4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone is CCn1ncc(Cl)c1C(=O)c1ccc(C)cc1F.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone?
The InChIKey is IOPPXLUKYLJDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-3-17-12(10(14)7-16-17)13(18)9-5-4-8(2)6-11(9)15/h4-7H,3H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone has a molecular weight of 266.70 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 115803927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).