N-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride

C10H16ClF3N4O2S — CID 120711275

IUPACN-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C1CC1
InChIInChI=1S/C10H15F3N4O2S.ClH/c11-10(12,13)6-17-5-8(4-15-17)20(18,19)16-9(3-14)7-1-2-7;/h4-5,7,9,16H,1-3,6,14H2;1H
InChIKeyJZIGZDDJZWWROF-UHFFFAOYSA-N
MW348.78 g/mol
LogP0.88
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120711275) has the molecular formula C10H16ClF3N4O2S and a molecular weight of 348.78 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID120711275
Molecular FormulaC10H16ClF3N4O2S
Molecular Weight348.78 g/mol
Exact Mass348.06
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C1CC1
InChIInChI=1S/C10H15F3N4O2S.ClH/c11-10(12,13)6-17-5-8(4-15-17)20(18,19)16-9(3-14)7-1-2-7;/h4-5,7,9,16H,1-3,6,14H2;1H
InChIKeyJZIGZDDJZWWROF-UHFFFAOYSA-N
XLogP0.88
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.78
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-4-sulfonamide
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N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
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N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride
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N-[3-(methylamino)propyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
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N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide
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N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
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2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride
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N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide
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N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride
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3-[(2-amino-1-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
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1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride (CID 120711275) is N-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is JZIGZDDJZWWROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2S.ClH/c11-10(12,13)6-17-5-8(4-15-17)20(18,19)16-9(3-14)7-1-2-7;/h4-5,7,9,16H,1-3,6,14H2;1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 348.78 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120711275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).