3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide

C16H23N5OS — CID 136530406

IUPAC3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
SMILESCc1csc(C(C)CNC(=O)N2CCC(c3cnn(C)c3)C2)n1
InChIInChI=1S/C16H23N5OS/c1-11(15-19-12(2)10-23-15)6-17-16(22)21-5-4-13(9-21)14-7-18-20(3)8-14/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,17,22)
InChIKeyPFGHLUOVDOAXCM-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.49
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide

3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide (PubChem CID 136530406) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
PubChem CID136530406
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
SMILESCc1csc(C(C)CNC(=O)N2CCC(c3cnn(C)c3)C2)n1
InChIInChI=1S/C16H23N5OS/c1-11(15-19-12(2)10-23-15)6-17-16(22)21-5-4-13(9-21)14-7-18-20(3)8-14/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,17,22)
InChIKeyPFGHLUOVDOAXCM-UHFFFAOYSA-N
XLogP2.49
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-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

N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119143691
N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 128633676
4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124619050
(3S)-N-[(5-chlorothiophen-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124606796
4-(furan-2-carbonyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
CID 136530407
N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 128635077
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboximidamide
CID 119143792
(3S)-N-(4-acetyl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124568170
1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119890131
N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111740488
3-[[N-methyl-C-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]carbonimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111740931
(3S)-N-(2-methyl-6-methylsulfanylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124617751

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide (CID 136530406) is 3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide is Cc1csc(C(C)CNC(=O)N2CCC(c3cnn(C)c3)C2)n1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
The InChIKey is PFGHLUOVDOAXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-11(15-19-12(2)10-23-15)6-17-16(22)21-5-4-13(9-21)14-7-18-20(3)8-14/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,17,22).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 136530406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).