1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride

C15H21ClN4O3S — CID 119959400

IUPAC1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
SMILESCOc1ccccc1-n1cc(S(=O)(=O)N2CCC(N)CC2)cn1.Cl
InChIInChI=1S/C15H20N4O3S.ClH/c1-22-15-5-3-2-4-14(15)19-11-13(10-17-19)23(20,21)18-8-6-12(16)7-9-18;/h2-5,10-12H,6-9,16H2,1H3;1H
InChIKeyXTTZELLURQYUOH-UHFFFAOYSA-N
MW372.88 g/mol
LogP1.41
Rot. Bonds4

About 1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride

1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 119959400) has the molecular formula C15H21ClN4O3S and a molecular weight of 372.88 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
PubChem CID119959400
Molecular FormulaC15H21ClN4O3S
Molecular Weight372.88 g/mol
Exact Mass372.10
IUPAC Name1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
SMILESCOc1ccccc1-n1cc(S(=O)(=O)N2CCC(N)CC2)cn1.Cl
InChIInChI=1S/C15H20N4O3S.ClH/c1-22-15-5-3-2-4-14(15)19-11-13(10-17-19)23(20,21)18-8-6-12(16)7-9-18;/h2-5,10-12H,6-9,16H2,1H3;1H
InChIKeyXTTZELLURQYUOH-UHFFFAOYSA-N
XLogP1.41
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978577
N-(cyclopropylmethyl)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987935
(3S,4R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766954
(3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine
CID 124619163
(3R)-1-(1-phenylpyrazol-4-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962892
N-(2-amino-1-cyclopentylethyl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide;hydrochloride
CID 120585040
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 119977433
N-methyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980335
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959359
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
3,3-dimethyl-1-(1-phenylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 120779609

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride (CID 119959400) is 1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride is COc1ccccc1-n1cc(S(=O)(=O)N2CCC(N)CC2)cn1.Cl.
What is the InChIKey of 1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is XTTZELLURQYUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S.ClH/c1-22-15-5-3-2-4-14(15)19-11-13(10-17-19)23(20,21)18-8-6-12(16)7-9-18;/h2-5,10-12H,6-9,16H2,1H3;1H.
What are the key properties of 1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride?
1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 372.88 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119959400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).