N-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C12H24N4O2S — CID 107159005

IUPACN-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(N)CC(C)(C)C
InChIInChI=1S/C12H24N4O2S/c1-8-11(9(2)16-15-8)19(17,18)14-7-10(13)6-12(3,4)5/h10,14H,6-7,13H2,1-5H3,(H,15,16)
InChIKeyJXSZEBIAGUNMQH-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.07
Rot. Bonds5

About N-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 107159005) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID107159005
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(N)CC(C)(C)C
InChIInChI=1S/C12H24N4O2S/c1-8-11(9(2)16-15-8)19(17,18)14-7-10(13)6-12(3,4)5/h10,14H,6-7,13H2,1-5H3,(H,15,16)
InChIKeyJXSZEBIAGUNMQH-UHFFFAOYSA-N
XLogP1.07
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-hydroxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64540635
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427468
N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 120664979
N-(5-amino-2,2-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106141679
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
3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide
CID 115901933
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 119998499
3,5-dimethyl-N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 61018075
N-[2-(2-bromoethyl)pentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106118418
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-(1-bromo-2-methylpropan-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 114298583

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 107159005) is N-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC(N)CC(C)(C)C.
What is the InChIKey of N-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is JXSZEBIAGUNMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-8-11(9(2)16-15-8)19(17,18)14-7-10(13)6-12(3,4)5/h10,14H,6-7,13H2,1-5H3,(H,15,16).
What are the key properties of N-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 107159005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).