N-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C14H25N3O2S — CID 60972506

IUPACN-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C14H25N3O2S/c1-4-12-5-7-13(8-6-12)9-15-20(18,19)14-10(2)16-17-11(14)3/h12-13,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyVNLJONIBSFWDRH-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.52
Rot. Bonds5

About N-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 60972506) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID60972506
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCC1CCC(CNS(=O)(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C14H25N3O2S/c1-4-12-5-7-13(8-6-12)9-15-20(18,19)14-10(2)16-17-11(14)3/h12-13,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyVNLJONIBSFWDRH-UHFFFAOYSA-N
XLogP2.52
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 80585796
3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 110737156
N-[2-(cyclopropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62665350
3,5-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 114955864
N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106027270
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 126917028
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43402443
3,5-dimethyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 60895350
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113065786

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 60972506) is N-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CCC1CCC(CNS(=O)(=O)c2c(C)n[nH]c2C)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is VNLJONIBSFWDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-12-5-7-13(8-6-12)9-15-20(18,19)14-10(2)16-17-11(14)3/h12-13,15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60972506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).