(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide

C21H21FN4O — CID 51963079

IUPAC(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C21H21FN4O/c1-15-6-2-3-7-17(15)19-8-4-12-25(19)21(27)24-16-9-10-20(18(22)14-16)26-13-5-11-23-26/h2-3,5-7,9-11,13-14,19H,4,8,12H2,1H3,(H,24,27)/t19-/m1/s1
InChIKeyZWSGBHGZARFGSK-LJQANCHMSA-N
MW364.42 g/mol
LogP4.69
Rot. Bonds3

About (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide

(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 51963079) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID51963079
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C21H21FN4O/c1-15-6-2-3-7-17(15)19-8-4-12-25(19)21(27)24-16-9-10-20(18(22)14-16)26-13-5-11-23-26/h2-3,5-7,9-11,13-14,19H,4,8,12H2,1H3,(H,24,27)/t19-/m1/s1
InChIKeyZWSGBHGZARFGSK-LJQANCHMSA-N
XLogP4.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 126769711
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 47050883
2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide
CID 55833259
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)pyrrolidine-1-carboxamide
CID 92894271
(2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 94164440
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856073
(2R)-N-(3-fluoro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550933

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide (CID 51963079) is (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is ZWSGBHGZARFGSK-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-15-6-2-3-7-17(15)19-8-4-12-25(19)21(27)24-16-9-10-20(18(22)14-16)26-13-5-11-23-26/h2-3,5-7,9-11,13-14,19H,4,8,12H2,1H3,(H,24,27)/t19-/m1/s1.
What are the key properties of (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51963079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).