N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C14H22N6O2S — CID 131950709

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCc1nncn1C1CCCCC1
InChIInChI=1S/C14H22N6O2S/c1-10-14(11(2)18-17-10)23(21,22)16-8-13-19-15-9-20(13)12-6-4-3-5-7-12/h9,12,16H,3-8H2,1-2H3,(H,17,18)
InChIKeyKENMNHXFZGWVQU-UHFFFAOYSA-N
MW338.44 g/mol
LogP1.60
Rot. Bonds5

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 131950709) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID131950709
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCc1nncn1C1CCCCC1
InChIInChI=1S/C14H22N6O2S/c1-10-14(11(2)18-17-10)23(21,22)16-8-13-19-15-9-20(13)12-6-4-3-5-7-12/h9,12,16H,3-8H2,1-2H3,(H,17,18)
InChIKeyKENMNHXFZGWVQU-UHFFFAOYSA-N
XLogP1.60
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 131950709) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCc1nncn1C1CCCCC1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is KENMNHXFZGWVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-10-14(11(2)18-17-10)23(21,22)16-8-13-19-15-9-20(13)12-6-4-3-5-7-12/h9,12,16H,3-8H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 338.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 131950709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).