1-(2,4-difluorophenyl)-N-(3-phenylpyrrolidin-3-yl)pyrazole-3-carboxamide

C20H18F2N4O — CID 166361378

IUPAC1-(2,4-difluorophenyl)-N-(3-phenylpyrrolidin-3-yl)pyrazole-3-carboxamide
SMILESO=C(NC1(c2ccccc2)CCNC1)c1ccn(-c2ccc(F)cc2F)n1
InChIInChI=1S/C20H18F2N4O/c21-15-6-7-18(16(22)12-15)26-11-8-17(25-26)19(27)24-20(9-10-23-13-20)14-4-2-1-3-5-14/h1-8,11-12,23H,9-10,13H2,(H,24,27)
InChIKeyBCZMGUAASOIGPV-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.77
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-(3-phenylpyrrolidin-3-yl)pyrazole-3-carboxamide

1-(2,4-difluorophenyl)-N-(3-phenylpyrrolidin-3-yl)pyrazole-3-carboxamide (PubChem CID 166361378) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(3-phenylpyrrolidin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(3-phenylpyrrolidin-3-yl)pyrazole-3-carboxamide
PubChem CID166361378
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name1-(2,4-difluorophenyl)-N-(3-phenylpyrrolidin-3-yl)pyrazole-3-carboxamide
SMILESO=C(NC1(c2ccccc2)CCNC1)c1ccn(-c2ccc(F)cc2F)n1
InChIInChI=1S/C20H18F2N4O/c21-15-6-7-18(16(22)12-15)26-11-8-17(25-26)19(27)24-20(9-10-23-13-20)14-4-2-1-3-5-14/h1-8,11-12,23H,9-10,13H2,(H,24,27)
InChIKeyBCZMGUAASOIGPV-UHFFFAOYSA-N
XLogP2.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(3-phenylpyrrolidin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(3-phenylpyrrolidin-3-yl)pyrazole-3-carboxamide (CID 166361378) is 1-(2,4-difluorophenyl)-N-(3-phenylpyrrolidin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(3-phenylpyrrolidin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(3-phenylpyrrolidin-3-yl)pyrazole-3-carboxamide is O=C(NC1(c2ccccc2)CCNC1)c1ccn(-c2ccc(F)cc2F)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(3-phenylpyrrolidin-3-yl)pyrazole-3-carboxamide?
The InChIKey is BCZMGUAASOIGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c21-15-6-7-18(16(22)12-15)26-11-8-17(25-26)19(27)24-20(9-10-23-13-20)14-4-2-1-3-5-14/h1-8,11-12,23H,9-10,13H2,(H,24,27).
What are the key properties of 1-(2,4-difluorophenyl)-N-(3-phenylpyrrolidin-3-yl)pyrazole-3-carboxamide?
1-(2,4-difluorophenyl)-N-(3-phenylpyrrolidin-3-yl)pyrazole-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(3-phenylpyrrolidin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 166361378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).