3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide

C12H22N4O2S — CID 61106043

IUPAC3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide
SMILESCC1CCC(N(C)S(=O)(=O)c2cn(C)nc2N)CC1
InChIInChI=1S/C12H22N4O2S/c1-9-4-6-10(7-5-9)16(3)19(17,18)11-8-15(2)14-12(11)13/h8-10H,4-7H2,1-3H3,(H2,13,14)
InChIKeyBQPWVPBFAGQGGC-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.20
Rot. Bonds3

About 3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide

3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide (PubChem CID 61106043) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide
PubChem CID61106043
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide
SMILESCC1CCC(N(C)S(=O)(=O)c2cn(C)nc2N)CC1
InChIInChI=1S/C12H22N4O2S/c1-9-4-6-10(7-5-9)16(3)19(17,18)11-8-15(2)14-12(11)13/h8-10H,4-7H2,1-3H3,(H2,13,14)
InChIKeyBQPWVPBFAGQGGC-UHFFFAOYSA-N
XLogP1.20
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-1-ethyl-1H-pyrazole-4-sulfonamide
CID 6470748
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 43598152
1-methyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-sulfonamide
CID 47177819
3-amino-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61109764
3-amino-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61115024
1-Methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 61125152
1-Ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 61125153
1-Ethyl-4-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 65533220
1-Methyl-4-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 65534975
2-methyl-N-[4-[[4-[3-(methylamino)pyrazol-1-yl]butylamino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939354
1-ethyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide
CID 19681993
1-ethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide
CID 22772364

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide (CID 61106043) is 3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide is CC1CCC(N(C)S(=O)(=O)c2cn(C)nc2N)CC1.
What is the InChIKey of 3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide?
The InChIKey is BQPWVPBFAGQGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9-4-6-10(7-5-9)16(3)19(17,18)11-8-15(2)14-12(11)13/h8-10H,4-7H2,1-3H3,(H2,13,14).
What are the key properties of 3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide?
3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,1-dimethyl-N-(4-methylcyclohexyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 61106043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).