1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide

C18H26N4O3S — CID 119994189

IUPAC1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cnn(-c2ccccc2OC)c1
InChIInChI=1S/C18H26N4O3S/c1-3-12-22(15-8-10-19-11-9-15)26(23,24)16-13-20-21(14-16)17-6-4-5-7-18(17)25-2/h4-7,13-15,19H,3,8-12H2,1-2H3
InChIKeyZCMKIYWBXJJVNH-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.03
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide

1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide (PubChem CID 119994189) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide
PubChem CID119994189
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cnn(-c2ccccc2OC)c1
InChIInChI=1S/C18H26N4O3S/c1-3-12-22(15-8-10-19-11-9-15)26(23,24)16-13-20-21(14-16)17-6-4-5-7-18(17)25-2/h4-7,13-15,19H,3,8-12H2,1-2H3
InChIKeyZCMKIYWBXJJVNH-UHFFFAOYSA-N
XLogP2.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-propyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
CID 62062782
1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 119977433
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994139
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 118792786
1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
CID 119978930
N-piperidin-4-yl-N-propyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120712631
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
(3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine
CID 124619163
1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978577
N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119994071
1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 119959400

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide (CID 119994189) is 1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide is CCCN(C1CCNCC1)S(=O)(=O)c1cnn(-c2ccccc2OC)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide?
The InChIKey is ZCMKIYWBXJJVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-3-12-22(15-8-10-19-11-9-15)26(23,24)16-13-20-21(14-16)17-6-4-5-7-18(17)25-2/h4-7,13-15,19H,3,8-12H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide?
1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide has a molecular weight of 378.50 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 119994189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).