1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide

C20H19FN4O — CID 94828462

IUPAC1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C20H19FN4O/c21-16-7-1-3-9-18(16)25-14-15(13-22-25)20(26)23-17-8-2-4-10-19(17)24-11-5-6-12-24/h1-4,7-10,13-14H,5-6,11-12H2,(H,23,26)
InChIKeySYTKDQZKFKOYEF-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.86
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide

1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide (PubChem CID 94828462) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
PubChem CID94828462
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C20H19FN4O/c21-16-7-1-3-9-18(16)25-14-15(13-22-25)20(26)23-17-8-2-4-10-19(17)24-11-5-6-12-24/h1-4,7-10,13-14H,5-6,11-12H2,(H,23,26)
InChIKeySYTKDQZKFKOYEF-UHFFFAOYSA-N
XLogP3.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 94828526
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583413
N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
CID 38282179
N-[2-(azepan-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 18287671
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
N-(2-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33171812
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
1-(2-fluorophenyl)-N-[4-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 95348121
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
3,5-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557750
1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 134608302

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide (CID 94828462) is 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide is O=C(Nc1ccccc1N1CCCC1)c1cnn(-c2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide?
The InChIKey is SYTKDQZKFKOYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-16-7-1-3-9-18(16)25-14-15(13-22-25)20(26)23-17-8-2-4-10-19(17)24-11-5-6-12-24/h1-4,7-10,13-14H,5-6,11-12H2,(H,23,26).
What are the key properties of 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 94828462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).