3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide

C18H24N4O3S — CID 46566455

IUPAC3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H24N4O3S/c1-13-17(14(2)22(20-13)16-7-5-4-6-8-16)18(23)19-15-9-11-21(12-10-15)26(3,24)25/h4-8,15H,9-12H2,1-3H3,(H,19,23)
InChIKeyUVOKVBNTWCRXDQ-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.64
Rot. Bonds4

About 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide

3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 46566455) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID46566455
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H24N4O3S/c1-13-17(14(2)22(20-13)16-7-5-4-6-8-16)18(23)19-15-9-11-21(12-10-15)26(3,24)25/h4-8,15H,9-12H2,1-3H3,(H,19,23)
InChIKeyUVOKVBNTWCRXDQ-UHFFFAOYSA-N
XLogP1.64
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
(3,5-dimethyl-1-phenylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252296
3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119424409
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134000256
N-cyclopropyl-5-ethyl-3-methyl-1-phenylpyrazole-4-carboxamide
CID 42818280
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559904
5-chloro-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 60602914
N-[1-[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidin-4-yl]benzamide
CID 33309323
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705512
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 8590207
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 41410768
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide (CID 46566455) is 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is UVOKVBNTWCRXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-17(14(2)22(20-13)16-7-5-4-6-8-16)18(23)19-15-9-11-21(12-10-15)26(3,24)25/h4-8,15H,9-12H2,1-3H3,(H,19,23).
What are the key properties of 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 46566455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).