N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide

C18H18N4OS — CID 91914574

IUPACN-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccsc1
InChIInChI=1S/C18H18N4OS/c23-18(14-7-9-24-12-14)19-15-6-8-22(11-15)17-10-16(20-21-17)13-4-2-1-3-5-13/h1-5,7,9-10,12,15H,6,8,11H2,(H,19,23)(H,20,21)
InChIKeyYKUATCGKOFDGFY-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.15
Rot. Bonds4

About N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide

N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide (PubChem CID 91914574) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
PubChem CID91914574
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccsc1
InChIInChI=1S/C18H18N4OS/c23-18(14-7-9-24-12-14)19-15-6-8-22(11-15)17-10-16(20-21-17)13-4-2-1-3-5-13/h1-5,7,9-10,12,15H,6,8,11H2,(H,19,23)(H,20,21)
InChIKeyYKUATCGKOFDGFY-UHFFFAOYSA-N
XLogP3.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91914563
N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide
CID 99741208
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 91887783
5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 99741238
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide
CID 91914548
3-fluoro-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741564
3-bromo-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740851
N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide
CID 99756595
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528231
N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 99741546
N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]pyridine-4-carboxamide
CID 53181017
3-fluoro-4-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740769

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide (CID 91914574) is N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide is O=C(NC1CCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccsc1.
What is the InChIKey of N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide?
The InChIKey is YKUATCGKOFDGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-18(14-7-9-24-12-14)19-15-6-8-22(11-15)17-10-16(20-21-17)13-4-2-1-3-5-13/h1-5,7,9-10,12,15H,6,8,11H2,(H,19,23)(H,20,21).
What are the key properties of N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide?
N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 91914574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).