2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide

C19H32N4O3S — CID 51210125

IUPAC2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCC2C)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H32N4O3S/c1-14-9-5-6-10-17(14)20-18(24)13-23-16(3)19(15(2)21-23)27(25,26)22-11-7-4-8-12-22/h14,17H,4-13H2,1-3H3,(H,20,24)
InChIKeyWDRJFNWHPCKUCM-UHFFFAOYSA-N
MW396.56 g/mol
LogP2.37
Rot. Bonds5

About 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide

2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide (PubChem CID 51210125) has the molecular formula C19H32N4O3S and a molecular weight of 396.56 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide
PubChem CID51210125
Molecular FormulaC19H32N4O3S
Molecular Weight396.56 g/mol
Exact Mass396.22
IUPAC Name2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCC2C)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H32N4O3S/c1-14-9-5-6-10-17(14)20-18(24)13-23-16(3)19(15(2)21-23)27(25,26)22-11-7-4-8-12-22/h14,17H,4-13H2,1-3H3,(H,20,24)
InChIKeyWDRJFNWHPCKUCM-UHFFFAOYSA-N
XLogP2.37
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7277769
N-cycloheptyl-3-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]propanamide
CID 50794548
[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-cyclopentylmethanone
CID 16896651
1-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]piperidine
CID 9184151
2-[3,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43513488
N-[(1R,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8743015
N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857351
N-tert-butyl-2-[3,5-dimethyl-4-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide
CID 92877613
2-cyclohexyl-1-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)ethanone
CID 18565356
2-[4-(3-aminopiperidin-1-yl)sulfonyl-3,5-dimethylpyrazol-1-yl]acetic acid
CID 61403799
N-tert-butyl-2-[3,5-dimethyl-4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylpyrazol-1-yl]acetamide
CID 46365336
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 9110458

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide (CID 51210125) is 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide is Cc1nn(CC(=O)NC2CCCCC2C)c(C)c1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide?
The InChIKey is WDRJFNWHPCKUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3S/c1-14-9-5-6-10-17(14)20-18(24)13-23-16(3)19(15(2)21-23)27(25,26)22-11-7-4-8-12-22/h14,17H,4-13H2,1-3H3,(H,20,24).
What are the key properties of 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide?
2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide has a molecular weight of 396.56 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 51210125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).