N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride

C14H29ClN4O2S — CID 120713898

IUPACN-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1c(C)nn(CC(C)C)c1C.Cl
InChIInChI=1S/C14H28N4O2S.ClH/c1-7-15-11(4)8-16-21(19,20)14-12(5)17-18(13(14)6)9-10(2)3;/h10-11,15-16H,7-9H2,1-6H3;1H/t11-;/m1./s1
InChIKeyKHBFJNFMWGJVEX-RFVHGSKJSA-N
MW352.93 g/mol
LogP1.85
Rot. Bonds8

About N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120713898) has the molecular formula C14H29ClN4O2S and a molecular weight of 352.93 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID120713898
Molecular FormulaC14H29ClN4O2S
Molecular Weight352.93 g/mol
Exact Mass352.17
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1c(C)nn(CC(C)C)c1C.Cl
InChIInChI=1S/C14H28N4O2S.ClH/c1-7-15-11(4)8-16-21(19,20)14-12(5)17-18(13(14)6)9-10(2)3;/h10-11,15-16H,7-9H2,1-6H3;1H/t11-;/m1./s1
InChIKeyKHBFJNFMWGJVEX-RFVHGSKJSA-N
XLogP1.85
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.93
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
CID 120708800
3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
CID 120720041
N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 120664979
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 84600429
3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 84600949
1-ethyl-3,5-dimethyl-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrazole-4-sulfonamide
CID 71993047
ethyl (2R)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-2-methylpropanoate
CID 96997249
N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 120665116
N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 120711253
N-(2,2-difluoroethyl)-1-[3-(ethylamino)propyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 115409299
1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 19614444
4-[[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylamino]-2-fluorobenzoic acid
CID 136529828

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride (CID 120713898) is N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1c(C)nn(CC(C)C)c1C.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is KHBFJNFMWGJVEX-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H28N4O2S.ClH/c1-7-15-11(4)8-16-21(19,20)14-12(5)17-18(13(14)6)9-10(2)3;/h10-11,15-16H,7-9H2,1-6H3;1H/t11-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 352.93 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120713898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).