4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide

C12H20N4OS — CID 114122196

IUPAC4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide
SMILESCSC1CCCC(NC(=O)c2c(N)cnn2C)C1
InChIInChI=1S/C12H20N4OS/c1-16-11(10(13)7-14-16)12(17)15-8-4-3-5-9(6-8)18-2/h7-9H,3-6,13H2,1-2H3,(H,15,17)
InChIKeyUMGWZWNRMQHLQK-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.41
Rot. Bonds3

About 4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide

4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide (PubChem CID 114122196) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide
PubChem CID114122196
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide
SMILESCSC1CCCC(NC(=O)c2c(N)cnn2C)C1
InChIInChI=1S/C12H20N4OS/c1-16-11(10(13)7-14-16)12(17)15-8-4-3-5-9(6-8)18-2/h7-9H,3-6,13H2,1-2H3,(H,15,17)
InChIKeyUMGWZWNRMQHLQK-UHFFFAOYSA-N
XLogP1.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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

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Related Compounds

4-amino-N-cyclohexyl-1-methylpyrazole-5-carboxamide
CID 65356046
4-amino-N-cyclobutyl-1-propan-2-ylpyrazole-5-carboxamide
CID 117219054
(4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114236470
6-amino-N-(3-methylsulfanylcyclohexyl)pyridine-2-carboxamide;hydrochloride
CID 119999169
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide
CID 114628278
N-cyclopentyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 903286
N-cyclohexyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 713201
N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 95770990
4-bromo-N-(3-methylsulfanylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 103707546
4-[(3-methylsulfanylcyclohexyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 114122595
(4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104966891
4-amino-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
CID 65359853

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide (CID 114122196) is 4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide is CSC1CCCC(NC(=O)c2c(N)cnn2C)C1.
What is the InChIKey of 4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide?
The InChIKey is UMGWZWNRMQHLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-16-11(10(13)7-14-16)12(17)15-8-4-3-5-9(6-8)18-2/h7-9H,3-6,13H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide?
4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide is sourced from PubChem (CID 114122196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).