3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide

C14H26N4O2S — CID 63242905

IUPAC3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2CCC(C)CC2)c(N)n1
InChIInChI=1S/C14H26N4O2S/c1-3-8-18-10-13(14(15)17-18)21(19,20)16-9-12-6-4-11(2)5-7-12/h10-12,16H,3-9H2,1-2H3,(H2,15,17)
InChIKeySICLNVYMLGPTBY-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.98
Rot. Bonds6

About 3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide

3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide (PubChem CID 63242905) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide
PubChem CID63242905
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2CCC(C)CC2)c(N)n1
InChIInChI=1S/C14H26N4O2S/c1-3-8-18-10-13(14(15)17-18)21(19,20)16-9-12-6-4-11(2)5-7-12/h10-12,16H,3-9H2,1-2H3,(H2,15,17)
InChIKeySICLNVYMLGPTBY-UHFFFAOYSA-N
XLogP1.98
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 63242904
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 106022301
3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide
CID 60919717
3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 61113632
3-amino-N-cyclopentyl-1-propylpyrazole-4-sulfonamide
CID 54922795
3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide
CID 104758504
3-amino-1-ethyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide
CID 61114804
3-amino-N-(1-methylpyrrolidin-3-yl)-1-propylpyrazole-4-sulfonamide
CID 61462052
3-amino-N-(2-methyloxolan-3-yl)-1-propylpyrazole-4-sulfonamide
CID 82725524
3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide
CID 113464453
3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
CID 64570397
3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide
CID 61125115

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide (CID 63242905) is 3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC2CCC(C)CC2)c(N)n1.
What is the InChIKey of 3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is SICLNVYMLGPTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-3-8-18-10-13(14(15)17-18)21(19,20)16-9-12-6-4-11(2)5-7-12/h10-12,16H,3-9H2,1-2H3,(H2,15,17).
What are the key properties of 3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide?
3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 63242905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).