3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide

C19H15ClFN3O — CID 4005097

IUPAC3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide
SMILESO=C(NC1CC1)c1cc(-c2ccccc2Cl)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H15ClFN3O/c20-16-4-2-1-3-15(16)17-11-18(19(25)22-13-7-8-13)24(23-17)14-9-5-12(21)6-10-14/h1-6,9-11,13H,7-8H2,(H,22,25)
InChIKeyUXPJSIIRERGETQ-UHFFFAOYSA-N
MW355.80 g/mol
LogP4.22
Rot. Bonds4

About 3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide (PubChem CID 4005097) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide
PubChem CID4005097
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC Name3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide
SMILESO=C(NC1CC1)c1cc(-c2ccccc2Cl)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H15ClFN3O/c20-16-4-2-1-3-15(16)17-11-18(19(25)22-13-7-8-13)24(23-17)14-9-5-12(21)6-10-14/h1-6,9-11,13H,7-8H2,(H,22,25)
InChIKeyUXPJSIIRERGETQ-UHFFFAOYSA-N
XLogP4.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 812037
3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide
CID 4521775
3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5038891
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide
CID 42759394
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 4587400
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]pyrazole-5-carboxamide
CID 7347444
N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5036469
[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 5026925
N-(4-hydroxycyclohexyl)-1,3-diphenylpyrazole-5-carboxamide
CID 9324133
[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42759370
N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762263
ethyl 4-[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 42759373

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide (CID 4005097) is 3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide is O=C(NC1CC1)c1cc(-c2ccccc2Cl)nn1-c1ccc(F)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide?
The InChIKey is UXPJSIIRERGETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c20-16-4-2-1-3-15(16)17-11-18(19(25)22-13-7-8-13)24(23-17)14-9-5-12(21)6-10-14/h1-6,9-11,13H,7-8H2,(H,22,25).
What are the key properties of 3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide has a molecular weight of 355.80 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4005097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).