N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride

C15H31ClN4O2S — CID 120712202

IUPACN-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C15H30N4O2S.ClH/c1-11(2)8-19-13(4)14(12(3)17-19)22(20,21)18(7)10-15(5,6)9-16;/h11H,8-10,16H2,1-7H3;1H
InChIKeyFQPJMLXHNFJEIO-UHFFFAOYSA-N
MW366.96 g/mol
LogP2.18
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120712202) has the molecular formula C15H31ClN4O2S and a molecular weight of 366.96 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID120712202
Molecular FormulaC15H31ClN4O2S
Molecular Weight366.96 g/mol
Exact Mass366.19
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C15H30N4O2S.ClH/c1-11(2)8-19-13(4)14(12(3)17-19)22(20,21)18(7)10-15(5,6)9-16;/h11H,8-10,16H2,1-7H3;1H
InChIKeyFQPJMLXHNFJEIO-UHFFFAOYSA-N
XLogP2.18
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.96
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride (CID 120712202) is N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)CC(C)(C)CN.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is FQPJMLXHNFJEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2S.ClH/c1-11(2)8-19-13(4)14(12(3)17-19)22(20,21)18(7)10-15(5,6)9-16;/h11H,8-10,16H2,1-7H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 366.96 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120712202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).