2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide

C24H26ClN3O2 — CID 55807650

IUPAC2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccccc1OC1CCCC1
InChIInChI=1S/C24H26ClN3O2/c1-16-21(17(2)28(27-16)19-13-11-18(25)12-14-19)15-24(29)26-22-9-5-6-10-23(22)30-20-7-3-4-8-20/h5-6,9-14,20H,3-4,7-8,15H2,1-2H3,(H,26,29)
InChIKeyMJVRWFIQGWYTMW-UHFFFAOYSA-N
MW423.94 g/mol
LogP5.65
Rot. Bonds6

About 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide

2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide (PubChem CID 55807650) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide
PubChem CID55807650
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccccc1OC1CCCC1
InChIInChI=1S/C24H26ClN3O2/c1-16-21(17(2)28(27-16)19-13-11-18(25)12-14-19)15-24(29)26-22-9-5-6-10-23(22)30-20-7-3-4-8-20/h5-6,9-14,20H,3-4,7-8,15H2,1-2H3,(H,26,29)
InChIKeyMJVRWFIQGWYTMW-UHFFFAOYSA-N
XLogP5.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.94
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-ethylphenyl)acetamide
CID 55736830
N-(5-chloro-2-hydroxyphenyl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 56581409
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 33372039
methyl 3-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]thiophene-2-carboxylate
CID 55756882
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78884828
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111445786
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119502495
N-(2-ethylsulfonylphenyl)-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55760787
(1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 55755698
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9272967
2-(4-bromophenyl)-N-(2-cyclopentyloxyphenyl)acetamide
CID 55807841

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide (CID 55807650) is 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide is Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccccc1OC1CCCC1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide?
The InChIKey is MJVRWFIQGWYTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-16-21(17(2)28(27-16)19-13-11-18(25)12-14-19)15-24(29)26-22-9-5-6-10-23(22)30-20-7-3-4-8-20/h5-6,9-14,20H,3-4,7-8,15H2,1-2H3,(H,26,29).
What are the key properties of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide?
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide has a molecular weight of 423.94 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide is sourced from PubChem (CID 55807650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).