N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide

C17H17N5OS — CID 124620938

IUPACN-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccccn2)C1)c1cn[nH]c1-c1ccsc1
InChIInChI=1S/C17H17N5OS/c23-17(14-9-19-21-16(14)12-5-8-24-11-12)20-13-4-7-22(10-13)15-3-1-2-6-18-15/h1-3,5-6,8-9,11,13H,4,7,10H2,(H,19,21)(H,20,23)/t13-/m0/s1
InChIKeyUDFSIWLVZONUHB-ZDUSSCGKSA-N
MW339.42 g/mol
LogP2.54
Rot. Bonds4

About N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide

N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide (PubChem CID 124620938) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
PubChem CID124620938
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(c2ccccn2)C1)c1cn[nH]c1-c1ccsc1
InChIInChI=1S/C17H17N5OS/c23-17(14-9-19-21-16(14)12-5-8-24-11-12)20-13-4-7-22(10-13)15-3-1-2-6-18-15/h1-3,5-6,8-9,11,13H,4,7,10H2,(H,19,21)(H,20,23)/t13-/m0/s1
InChIKeyUDFSIWLVZONUHB-ZDUSSCGKSA-N
XLogP2.54
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 139011250
2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99696788
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
N-(1-pyridin-2-ylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 90621383
2-methylsulfanyl-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 99875589
N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-2-thiophen-3-ylacetamide
CID 124573434
2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide
CID 90621231
N-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide
CID 166205676
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-3-carboxamide
CID 99697234
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 91914574

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide (CID 124620938) is N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide is O=C(N[C@H]1CCN(c2ccccn2)C1)c1cn[nH]c1-c1ccsc1.
What is the InChIKey of N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The InChIKey is UDFSIWLVZONUHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N5OS/c23-17(14-9-19-21-16(14)12-5-8-24-11-12)20-13-4-7-22(10-13)15-3-1-2-6-18-15/h1-3,5-6,8-9,11,13H,4,7,10H2,(H,19,21)(H,20,23)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 124620938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).