5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide

C17H19FN4O2 — CID 125016140

IUPAC5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCNC(=O)c1cc([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)[nH]n1
InChIInChI=1S/C17H19FN4O2/c1-19-17(24)15-9-14(20-21-15)12-6-7-22(10-12)16(23)8-11-2-4-13(18)5-3-11/h2-5,9,12H,6-8,10H2,1H3,(H,19,24)(H,20,21)/t12-/m0/s1
InChIKeyWYNMCAHASXKGQY-LBPRGKRZSA-N
MW330.36 g/mol
LogP1.47
Rot. Bonds4

About 5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide

5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 125016140) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID125016140
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCNC(=O)c1cc([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)[nH]n1
InChIInChI=1S/C17H19FN4O2/c1-19-17(24)15-9-14(20-21-15)12-6-7-22(10-12)16(23)8-11-2-4-13(18)5-3-11/h2-5,9,12H,6-8,10H2,1H3,(H,19,24)(H,20,21)/t12-/m0/s1
InChIKeyWYNMCAHASXKGQY-LBPRGKRZSA-N
XLogP1.47
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methylquinoline-4-carboxamide
CID 110251577
5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 91628904
5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide
CID 110265042
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
6-cyclopropyl-3-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803967
N-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628916
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201
7-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124942504
N-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628898
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 110251578
2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088564
2-(4-fluorophenyl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 127251909

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide (CID 125016140) is 5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide is CNC(=O)c1cc([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)[nH]n1.
What is the InChIKey of 5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is WYNMCAHASXKGQY-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-19-17(24)15-9-14(20-21-15)12-6-7-22(10-12)16(23)8-11-2-4-13(18)5-3-11/h2-5,9,12H,6-8,10H2,1H3,(H,19,24)(H,20,21)/t12-/m0/s1.
What are the key properties of 5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide?
5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 125016140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).