1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

C24H27FN4O — CID 46512755

IUPAC1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C24H27FN4O/c1-17-23(18(2)29(27-17)21-12-10-20(25)11-13-21)24(30)26-16-22(28-14-6-7-15-28)19-8-4-3-5-9-19/h3-5,8-13,22H,6-7,14-16H2,1-2H3,(H,26,30)
InChIKeyJNQMLGDFBGTGFS-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.20
Rot. Bonds6

About 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide

1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (PubChem CID 46512755) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
PubChem CID46512755
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C24H27FN4O/c1-17-23(18(2)29(27-17)21-12-10-20(25)11-13-21)24(30)26-16-22(28-14-6-7-15-28)19-8-4-3-5-9-19/h3-5,8-13,22H,6-7,14-16H2,1-2H3,(H,26,30)
InChIKeyJNQMLGDFBGTGFS-UHFFFAOYSA-N
XLogP4.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46493583
5-chloro-1-(4-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-methylpyrazole-4-carboxamide
CID 51966505
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110623869
2,6-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 112503241
1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 41088189
1-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 41088187
1-(4-fluorophenyl)-3,5-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119502383
N-[3-[benzyl(methyl)amino]propyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 31588579
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyridine-4-carboxamide
CID 118794898
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2494653

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide (CID 46512755) is 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
The InChIKey is JNQMLGDFBGTGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-17-23(18(2)29(27-17)21-12-10-20(25)11-13-21)24(30)26-16-22(28-14-6-7-15-28)19-8-4-3-5-9-19/h3-5,8-13,22H,6-7,14-16H2,1-2H3,(H,26,30).
What are the key properties of 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide?
1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,5-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46512755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).