2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide

C18H24N4O3S — CID 172901974

IUPAC2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)n(C)n1
InChIInChI=1S/C18H24N4O3S/c1-13-12-17(21(2)20-13)18(23)19-14-8-10-22(11-9-14)15-4-6-16(7-5-15)26(3,24)25/h4-7,12,14H,8-11H2,1-3H3,(H,19,23)
InChIKeyBZAJOINQNPAGEK-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.53
Rot. Bonds4

About 2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide

2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 172901974) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID172901974
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)n(C)n1
InChIInChI=1S/C18H24N4O3S/c1-13-12-17(21(2)20-13)18(23)19-14-8-10-22(11-9-14)15-4-6-16(7-5-15)26(3,24)25/h4-7,12,14H,8-11H2,1-3H3,(H,19,23)
InChIKeyBZAJOINQNPAGEK-UHFFFAOYSA-N
XLogP1.53
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899580
N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 172899553
2,5-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899602
2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 175649732
2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide
CID 66126685
2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172902834
N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024230
5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 60602914
2-[1-(4-methylsulfonylphenyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432011
[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]methanone
CID 91168556
N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 172903919

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide (CID 172901974) is 2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is BZAJOINQNPAGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-12-17(21(2)20-13)18(23)19-14-8-10-22(11-9-14)15-4-6-16(7-5-15)26(3,24)25/h4-7,12,14H,8-11H2,1-3H3,(H,19,23).
What are the key properties of 2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 172901974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).