2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide

C20H27N3O — CID 9272967

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C20H27N3O/c1-14-9-7-8-12-19(14)21-20(24)13-18-15(2)22-23(16(18)3)17-10-5-4-6-11-17/h4-6,10-11,14,19H,7-9,12-13H2,1-3H3,(H,21,24)/t14-,19-/m1/s1
InChIKeyOEBOUWFLGHBIDJ-AUUYWEPGSA-N
MW325.46 g/mol
LogP3.73
Rot. Bonds4

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 9272967) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID9272967
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C20H27N3O/c1-14-9-7-8-12-19(14)21-20(24)13-18-15(2)22-23(16(18)3)17-10-5-4-6-11-17/h4-6,10-11,14,19H,7-9,12-13H2,1-3H3,(H,21,24)/t14-,19-/m1/s1
InChIKeyOEBOUWFLGHBIDJ-AUUYWEPGSA-N
XLogP3.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 11932706
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide
CID 9327240
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 39967848
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 7557518
N-(2,3-dihydro-1H-inden-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18103852
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120554239
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120555554
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
N-cyclopropyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-methylcyclohexyl)acetamide
CID 55595083
[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 11929976
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 34052086
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 11907963

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 9272967) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CCCC[C@H]1C.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is OEBOUWFLGHBIDJ-AUUYWEPGSA-N. The full InChI is InChI=1S/C20H27N3O/c1-14-9-7-8-12-19(14)21-20(24)13-18-15(2)22-23(16(18)3)17-10-5-4-6-11-17/h4-6,10-11,14,19H,7-9,12-13H2,1-3H3,(H,21,24)/t14-,19-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 325.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 9272967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).