3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide

C11H16N4O2S — CID 10659539

IUPAC3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(N)n(C(=O)C2CCCCC2)[nH]c1=S
InChIInChI=1S/C11H16N4O2S/c12-8-7(9(13)16)10(18)14-15(8)11(17)6-4-2-1-3-5-6/h6H,1-5,12H2,(H2,13,16)(H,14,18)
InChIKeyQWMILJCHOFQGOW-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.45
Rot. Bonds2

About 3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide

3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide (PubChem CID 10659539) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide
PubChem CID10659539
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(N)n(C(=O)C2CCCCC2)[nH]c1=S
InChIInChI=1S/C11H16N4O2S/c12-8-7(9(13)16)10(18)14-15(8)11(17)6-4-2-1-3-5-6/h6H,1-5,12H2,(H2,13,16)(H,14,18)
InChIKeyQWMILJCHOFQGOW-UHFFFAOYSA-N
XLogP1.45
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-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

4-(cyclohexanecarbonyl)piperazine-2,6-dione
CID 13063813
1-(cyclohexanecarbonyl)-1,2,4-triazole-3-carboxamide
CID 21481192
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclohexyl-(4,6-diaminotriazin-5-yl)methanone
CID 141052840
(Z)-3-cyclohexylbut-2-enamide
CID 19353012
4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide
CID 68550560
cyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone
CID 175039329
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
4-amino-3-(cyclohexylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 171423915
6-amino-5-cyclohexylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118612798

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide (CID 10659539) is 3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide is NC(=O)c1c(N)n(C(=O)C2CCCCC2)[nH]c1=S.
What is the InChIKey of 3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide?
The InChIKey is QWMILJCHOFQGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c12-8-7(9(13)16)10(18)14-15(8)11(17)6-4-2-1-3-5-6/h6H,1-5,12H2,(H2,13,16)(H,14,18).
What are the key properties of 3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide?
3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(cyclohexanecarbonyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 10659539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).