N-(2-chlorophenyl)-4-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]piperidine-1-carboxamide

C23H25ClN4O3S — CID 73349213

IUPACN-(2-chlorophenyl)-4-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCc1cc(C2CCN(C(=O)Nc3ccccc3Cl)CC2)n(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C23H25ClN4O3S/c1-16-15-22(28(26-16)18-7-9-19(10-8-18)32(2,30)31)17-11-13-27(14-12-17)23(29)25-21-6-4-3-5-20(21)24/h3-10,15,17H,11-14H2,1-2H3,(H,25,29)
InChIKeyYXMZLFFBLKURNF-UHFFFAOYSA-N
MW473.00 g/mol
LogP4.65
Rot. Bonds4

About N-(2-chlorophenyl)-4-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]piperidine-1-carboxamide

N-(2-chlorophenyl)-4-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]piperidine-1-carboxamide (PubChem CID 73349213) has the molecular formula C23H25ClN4O3S and a molecular weight of 473.00 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
PubChem CID73349213
Molecular FormulaC23H25ClN4O3S
Molecular Weight473.00 g/mol
Exact Mass472.13
IUPAC NameN-(2-chlorophenyl)-4-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCc1cc(C2CCN(C(=O)Nc3ccccc3Cl)CC2)n(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C23H25ClN4O3S/c1-16-15-22(28(26-16)18-7-9-19(10-8-18)32(2,30)31)17-11-13-27(14-12-17)23(29)25-21-6-4-3-5-20(21)24/h3-10,15,17H,11-14H2,1-2H3,(H,25,29)
InChIKeyYXMZLFFBLKURNF-UHFFFAOYSA-N
XLogP4.65
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.00
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 97414951
1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 130387978
N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55972966
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide
CID 80552313
N-(2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 3814610
(2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 41097747
N-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935229
N-(2-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110890318
N-(2-chlorophenyl)-4-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)piperidine-1-carboxamide
CID 121020401
N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 44629230

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]piperidine-1-carboxamide (CID 73349213) is N-(2-chlorophenyl)-4-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]piperidine-1-carboxamide is Cc1cc(C2CCN(C(=O)Nc3ccccc3Cl)CC2)n(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of N-(2-chlorophenyl)-4-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]piperidine-1-carboxamide?
The InChIKey is YXMZLFFBLKURNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3S/c1-16-15-22(28(26-16)18-7-9-19(10-8-18)32(2,30)31)17-11-13-27(14-12-17)23(29)25-21-6-4-3-5-20(21)24/h3-10,15,17H,11-14H2,1-2H3,(H,25,29).
What are the key properties of N-(2-chlorophenyl)-4-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]piperidine-1-carboxamide?
N-(2-chlorophenyl)-4-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]piperidine-1-carboxamide has a molecular weight of 473.00 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 73349213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).