2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide

C25H28ClN3O — CID 19588234

IUPAC2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide
SMILESCc1ccc(-c2nn(CC(=O)NC3CCCCC3)c(-c3ccc(C)cc3)c2Cl)cc1
InChIInChI=1S/C25H28ClN3O/c1-17-8-12-19(13-9-17)24-23(26)25(20-14-10-18(2)11-15-20)29(28-24)16-22(30)27-21-6-4-3-5-7-21/h8-15,21H,3-7,16H2,1-2H3,(H,27,30)
InChIKeyGXTXIYRZVPQFSL-UHFFFAOYSA-N
MW421.97 g/mol
LogP5.94
Rot. Bonds5

About 2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide

2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide (PubChem CID 19588234) has the molecular formula C25H28ClN3O and a molecular weight of 421.97 g/mol. Its IUPAC name is 2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide
PubChem CID19588234
Molecular FormulaC25H28ClN3O
Molecular Weight421.97 g/mol
Exact Mass421.19
IUPAC Name2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide
SMILESCc1ccc(-c2nn(CC(=O)NC3CCCCC3)c(-c3ccc(C)cc3)c2Cl)cc1
InChIInChI=1S/C25H28ClN3O/c1-17-8-12-19(13-9-17)24-23(26)25(20-14-10-18(2)11-15-20)29(28-24)16-22(30)27-21-6-4-3-5-7-21/h8-15,21H,3-7,16H2,1-2H3,(H,27,30)
InChIKeyGXTXIYRZVPQFSL-UHFFFAOYSA-N
XLogP5.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide
CID 19588260
N-cyclopentyl-2-[3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinolin-1-yl]acetamide
CID 20952341
2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide
CID 69293752
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cycloheptylacetamide
CID 19523302
N-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide
CID 20952339
N-cyclopentyl-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485247
N-cyclopentyl-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841573
N-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073513
N-cycloheptyl-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7875432
N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide (CID 19588234) is 2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide is Cc1ccc(-c2nn(CC(=O)NC3CCCCC3)c(-c3ccc(C)cc3)c2Cl)cc1.
What is the InChIKey of 2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide?
The InChIKey is GXTXIYRZVPQFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O/c1-17-8-12-19(13-9-17)24-23(26)25(20-14-10-18(2)11-15-20)29(28-24)16-22(30)27-21-6-4-3-5-7-21/h8-15,21H,3-7,16H2,1-2H3,(H,27,30).
What are the key properties of 2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide?
2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide has a molecular weight of 421.97 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 19588234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).