(3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide

C15H19N5O2S — CID 94163023

IUPAC(3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(CC(=O)Nc2ccnn2Cc2cccs2)C1
InChIInChI=1S/C15H19N5O2S/c16-15(22)11-4-6-19(8-11)10-14(21)18-13-3-5-17-20(13)9-12-2-1-7-23-12/h1-3,5,7,11H,4,6,8-10H2,(H2,16,22)(H,18,21)/t11-/m0/s1
InChIKeyPFLAANFMDQIXEK-NSHDSACASA-N
MW333.42 g/mol
LogP0.74
Rot. Bonds6

About (3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide

(3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide (PubChem CID 94163023) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is (3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide
PubChem CID94163023
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name(3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(CC(=O)Nc2ccnn2Cc2cccs2)C1
InChIInChI=1S/C15H19N5O2S/c16-15(22)11-4-6-19(8-11)10-14(21)18-13-3-5-17-20(13)9-12-2-1-7-23-12/h1-3,5,7,11H,4,6,8-10H2,(H2,16,22)(H,18,21)/t11-/m0/s1
InChIKeyPFLAANFMDQIXEK-NSHDSACASA-N
XLogP0.74
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-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

2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
tert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate
CID 60512697
N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide
CID 8911676
1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904793
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 87015681
2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 86960309
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 8911831
2-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911690
4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911642
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 9118752
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031199
N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide
CID 8911670

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide (CID 94163023) is (3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide is NC(=O)[C@H]1CCN(CC(=O)Nc2ccnn2Cc2cccs2)C1.
What is the InChIKey of (3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is PFLAANFMDQIXEK-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5O2S/c16-15(22)11-4-6-19(8-11)10-14(21)18-13-3-5-17-20(13)9-12-2-1-7-23-12/h1-3,5,7,11H,4,6,8-10H2,(H2,16,22)(H,18,21)/t11-/m0/s1.
What are the key properties of (3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide?
(3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94163023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).