5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide

C12H20N4OS — CID 104589681

IUPAC5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide
SMILESCCSC1CCC(NC(=O)c2cnn(C)c2N)C1
InChIInChI=1S/C12H20N4OS/c1-3-18-9-5-4-8(6-9)15-12(17)10-7-14-16(2)11(10)13/h7-9H,3-6,13H2,1-2H3,(H,15,17)
InChIKeyVSPMLEBVVNCXIS-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.41
Rot. Bonds4

About 5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide

5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide (PubChem CID 104589681) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide
PubChem CID104589681
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide
SMILESCCSC1CCC(NC(=O)c2cnn(C)c2N)C1
InChIInChI=1S/C12H20N4OS/c1-3-18-9-5-4-8(6-9)15-12(17)10-7-14-16(2)11(10)13/h7-9H,3-6,13H2,1-2H3,(H,15,17)
InChIKeyVSPMLEBVVNCXIS-UHFFFAOYSA-N
XLogP1.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-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

5-amino-1-methyl-N-(3-methylcyclopentyl)pyrazole-4-carboxamide
CID 114549373
5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 115330542
4-amino-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 105056170
5-amino-1-methyl-N-(3-methylcyclobutyl)pyrazole-4-carboxamide
CID 104589762
2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide
CID 106812168
5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyridine-3-carboxamide
CID 114124045
N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709498
4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide
CID 114122255
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide
CID 119945966
5-amino-N-(1-cyclopentylpyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide
CID 110485291
6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103709555
5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 113288605

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide (CID 104589681) is 5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide is CCSC1CCC(NC(=O)c2cnn(C)c2N)C1.
What is the InChIKey of 5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is VSPMLEBVVNCXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-18-9-5-4-8(6-9)15-12(17)10-7-14-16(2)11(10)13/h7-9H,3-6,13H2,1-2H3,(H,15,17).
What are the key properties of 5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-ethylsulfanylcyclopentyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 104589681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).