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

C19H15F2N3O — CID 812037

IUPACN-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide
SMILESO=C(NC1CC1)c1cc(-c2ccccc2F)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H15F2N3O/c20-12-5-9-14(10-6-12)24-18(19(25)22-13-7-8-13)11-17(23-24)15-3-1-2-4-16(15)21/h1-6,9-11,13H,7-8H2,(H,22,25)
InChIKeyIGPQRFSTWRXMCV-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.71
Rot. Bonds4

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

N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide (PubChem CID 812037) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide
PubChem CID812037
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide
SMILESO=C(NC1CC1)c1cc(-c2ccccc2F)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H15F2N3O/c20-12-5-9-14(10-6-12)24-18(19(25)22-13-7-8-13)11-17(23-24)15-3-1-2-4-16(15)21/h1-6,9-11,13H,7-8H2,(H,22,25)
InChIKeyIGPQRFSTWRXMCV-UHFFFAOYSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 4005097
N-(4-hydroxycyclohexyl)-1,3-diphenylpyrazole-5-carboxamide
CID 9324133
3-(2-fluorophenyl)-1-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 3927672
N-cyclohexyl-1-(4-fluorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762263
3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide
CID 4521775
3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5038891
N-cyclohexyl-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 4266674
3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4218340
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 4587400
3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole
CID 19587295
1-(4-chlorophenyl)-N-cyclopropyl-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 4025891
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide
CID 42759394

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide (CID 812037) is N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide is O=C(NC1CC1)c1cc(-c2ccccc2F)nn1-c1ccc(F)cc1.
What is the InChIKey of N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide?
The InChIKey is IGPQRFSTWRXMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O/c20-12-5-9-14(10-6-12)24-18(19(25)22-13-7-8-13)11-17(23-24)15-3-1-2-4-16(15)21/h1-6,9-11,13H,7-8H2,(H,22,25).
What are the key properties of N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide?
N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 812037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).