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

C10H21ClN4O2S — CID 120664979

IUPACN-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1c(C)n[nH]c1C.Cl
InChIInChI=1S/C10H20N4O2S.ClH/c1-5-11-7(2)6-12-17(15,16)10-8(3)13-14-9(10)4;/h7,11-12H,5-6H2,1-4H3,(H,13,14);1H/t7-;/m1./s1
InChIKeyMDKTUNYLGSUKFJ-OGFXRTJISA-N
MW296.82 g/mol
LogP0.72
Rot. Bonds6

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

N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120664979) has the molecular formula C10H21ClN4O2S and a molecular weight of 296.82 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
PubChem CID120664979
Molecular FormulaC10H21ClN4O2S
Molecular Weight296.82 g/mol
Exact Mass296.11
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1c(C)n[nH]c1C.Cl
InChIInChI=1S/C10H20N4O2S.ClH/c1-5-11-7(2)6-12-17(15,16)10-8(3)13-14-9(10)4;/h7,11-12H,5-6H2,1-4H3,(H,13,14);1H/t7-;/m1./s1
InChIKeyMDKTUNYLGSUKFJ-OGFXRTJISA-N
XLogP0.72
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 50.72
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
3,5-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-(2-amino-4,4-dimethylpentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 107159005
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 120665116
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79027745
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-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide
CID 115901933
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112506555

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride (CID 120664979) is N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1c(C)n[nH]c1C.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is MDKTUNYLGSUKFJ-OGFXRTJISA-N. The full InChI is InChI=1S/C10H20N4O2S.ClH/c1-5-11-7(2)6-12-17(15,16)10-8(3)13-14-9(10)4;/h7,11-12H,5-6H2,1-4H3,(H,13,14);1H/t7-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 296.82 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120664979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).