5-amino-1-cyclohexyl-3-methylsulfanylpyrazole-4-carboxamide

C11H18N4OS — CID 134094770

IUPAC5-amino-1-cyclohexyl-3-methylsulfanylpyrazole-4-carboxamide
SMILESCSc1nn(C2CCCCC2)c(N)c1C(N)=O
InChIInChI=1S/C11H18N4OS/c1-17-11-8(10(13)16)9(12)15(14-11)7-5-3-2-4-6-7/h7H,2-6,12H2,1H3,(H2,13,16)
InChIKeyBCZTVBBXYLRDRI-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.79
Rot. Bonds3

About 5-amino-1-cyclohexyl-3-methylsulfanylpyrazole-4-carboxamide

5-amino-1-cyclohexyl-3-methylsulfanylpyrazole-4-carboxamide (PubChem CID 134094770) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 5-amino-1-cyclohexyl-3-methylsulfanylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-cyclohexyl-3-methylsulfanylpyrazole-4-carboxamide
PubChem CID134094770
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name5-amino-1-cyclohexyl-3-methylsulfanylpyrazole-4-carboxamide
SMILESCSc1nn(C2CCCCC2)c(N)c1C(N)=O
InChIInChI=1S/C11H18N4OS/c1-17-11-8(10(13)16)9(12)15(14-11)7-5-3-2-4-6-7/h7H,2-6,12H2,1H3,(H2,13,16)
InChIKeyBCZTVBBXYLRDRI-UHFFFAOYSA-N
XLogP1.79
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-1-cyclohexyl-3-methylsulfanylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclohexyl-3-methylsulfanylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-cyclohexyl-3-methylsulfanylpyrazole-4-carboxamide (CID 134094770) is 5-amino-1-cyclohexyl-3-methylsulfanylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-cyclohexyl-3-methylsulfanylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-cyclohexyl-3-methylsulfanylpyrazole-4-carboxamide is CSc1nn(C2CCCCC2)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-1-cyclohexyl-3-methylsulfanylpyrazole-4-carboxamide?
The InChIKey is BCZTVBBXYLRDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-17-11-8(10(13)16)9(12)15(14-11)7-5-3-2-4-6-7/h7H,2-6,12H2,1H3,(H2,13,16).
What are the key properties of 5-amino-1-cyclohexyl-3-methylsulfanylpyrazole-4-carboxamide?
5-amino-1-cyclohexyl-3-methylsulfanylpyrazole-4-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclohexyl-3-methylsulfanylpyrazole-4-carboxamide is sourced from PubChem (CID 134094770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).