N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride

C17H25ClN4O3S — CID 120585040

IUPACN-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCOc1ccccc1-n1cc(S(=O)(=O)NC(CN)C2CCCC2)cn1.Cl
InChIInChI=1S/C17H24N4O3S.ClH/c1-24-17-9-5-4-8-16(17)21-12-14(11-19-21)25(22,23)20-15(10-18)13-6-2-3-7-13;/h4-5,8-9,11-13,15,20H,2-3,6-7,10,18H2,1H3;1H
InChIKeyHVBHGRQWWBIKRN-UHFFFAOYSA-N
MW400.93 g/mol
LogP2.10
Rot. Bonds7

About N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride

N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120585040) has the molecular formula C17H25ClN4O3S and a molecular weight of 400.93 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID120585040
Molecular FormulaC17H25ClN4O3S
Molecular Weight400.93 g/mol
Exact Mass400.13
IUPAC NameN-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCOc1ccccc1-n1cc(S(=O)(=O)NC(CN)C2CCCC2)cn1.Cl
InChIInChI=1S/C17H24N4O3S.ClH/c1-24-17-9-5-4-8-16(17)21-12-14(11-19-21)25(22,23)20-15(10-18)13-6-2-3-7-13;/h4-5,8-9,11-13,15,20H,2-3,6-7,10,18H2,1H3;1H
InChIKeyHVBHGRQWWBIKRN-UHFFFAOYSA-N
XLogP2.10
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride (CID 120585040) is N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride is COc1ccccc1-n1cc(S(=O)(=O)NC(CN)C2CCCC2)cn1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is HVBHGRQWWBIKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S.ClH/c1-24-17-9-5-4-8-16(17)21-12-14(11-19-21)25(22,23)20-15(10-18)13-6-2-3-7-13;/h4-5,8-9,11-13,15,20H,2-3,6-7,10,18H2,1H3;1H.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride?
N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 400.93 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120585040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).