[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone

C16H22N4OS — CID 72917615

IUPAC[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
SMILESCCC[C@H]1CN(C(=O)c2cc(-c3cccs3)n(C)n2)C[C@@H]1N
InChIInChI=1S/C16H22N4OS/c1-3-5-11-9-20(10-12(11)17)16(21)13-8-14(19(2)18-13)15-6-4-7-22-15/h4,6-8,11-12H,3,5,9-10,17H2,1-2H3/t11-,12-/m0/s1
InChIKeyCQSZUXFZVRDUKY-RYUDHWBXSA-N
MW318.45 g/mol
LogP2.35
Rot. Bonds4

About [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone

[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone (PubChem CID 72917615) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
PubChem CID72917615
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
SMILESCCC[C@H]1CN(C(=O)c2cc(-c3cccs3)n(C)n2)C[C@@H]1N
InChIInChI=1S/C16H22N4OS/c1-3-5-11-9-20(10-12(11)17)16(21)13-8-14(19(2)18-13)15-6-4-7-22-15/h4,6-8,11-12H,3,5,9-10,17H2,1-2H3/t11-,12-/m0/s1
InChIKeyCQSZUXFZVRDUKY-RYUDHWBXSA-N
XLogP2.35
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone 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

1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)thiophen-3-yl]pyrazole-3-carboxamide
CID 129226880
N-[(3R,5S)-1-(1-benzothiophene-5-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 76314532
5-(2,5-Dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide
CID 118715046
N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 168294671
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methyl-5-phenyl-2-thiophenecarboxamide
CID 1244268
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 129226288
US9776991, Example 13
CID 139208211
US10022354, Example 74
CID 121279707
N-{2-[2-(4-Fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-5-methylthiophene-2-carboxamide
CID 91892644
N-[(2-Methylphenyl)methyl]-2-[4-oxo-2-(thiophen-2-YL)-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-5-YL]acetamide
CID 16016740
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24687329

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone (CID 72917615) is [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone is CCC[C@H]1CN(C(=O)c2cc(-c3cccs3)n(C)n2)C[C@@H]1N.
What is the InChIKey of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone?
The InChIKey is CQSZUXFZVRDUKY-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-3-5-11-9-20(10-12(11)17)16(21)13-8-14(19(2)18-13)15-6-4-7-22-15/h4,6-8,11-12H,3,5,9-10,17H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone?
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone has a molecular weight of 318.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 72917615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).