N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide

C18H24N4O3S — CID 92557990

IUPACN,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(c3[nH]ncc3C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-13-4-6-15(7-5-13)26(24,25)22-10-8-14(9-11-22)17-16(12-19-20-17)18(23)21(2)3/h4-7,12,14H,8-11H2,1-3H3,(H,19,20)
InChIKeyBBQZFXJHQHHQEV-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.99
Rot. Bonds4

About N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide

N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 92557990) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID92557990
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(c3[nH]ncc3C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-13-4-6-15(7-5-13)26(24,25)22-10-8-14(9-11-22)17-16(12-19-20-17)18(23)21(2)3/h4-7,12,14H,8-11H2,1-3H3,(H,19,20)
InChIKeyBBQZFXJHQHHQEV-UHFFFAOYSA-N
XLogP1.99
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide (CID 92557990) is N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(c3[nH]ncc3C(=O)N(C)C)CC2)cc1.
What is the InChIKey of N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is BBQZFXJHQHHQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-4-6-15(7-5-13)26(24,25)22-10-8-14(9-11-22)17-16(12-19-20-17)18(23)21(2)3/h4-7,12,14H,8-11H2,1-3H3,(H,19,20).
What are the key properties of N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide?
N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 92557990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).