N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide

C10H17N3O2S — CID 103801486

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1ccnn1C
InChIInChI=1S/C10H17N3O2S/c1-7(9(6-14)16-3)12-10(15)8-4-5-11-13(8)2/h4-5,7,9,14H,6H2,1-3H3,(H,12,15)
InChIKeyNWVIMEUPZYMCHO-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.26
Rot. Bonds5

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 103801486) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide
PubChem CID103801486
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1ccnn1C
InChIInChI=1S/C10H17N3O2S/c1-7(9(6-14)16-3)12-10(15)8-4-5-11-13(8)2/h4-5,7,9,14H,6H2,1-3H3,(H,12,15)
InChIKeyNWVIMEUPZYMCHO-UHFFFAOYSA-N
XLogP0.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-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-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 106152545
(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 78972778
N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 61246953
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103798865
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106152436
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103799099
N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide
CID 130678636
N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 114311618
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 63754352
2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798809

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide (CID 103801486) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide is CSC(CO)C(C)NC(=O)c1ccnn1C.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is NWVIMEUPZYMCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7(9(6-14)16-3)12-10(15)8-4-5-11-13(8)2/h4-5,7,9,14H,6H2,1-3H3,(H,12,15).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103801486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).