2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide

C24H28ClN3O2 — CID 55797450

IUPAC2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1ccc(COC(C)C)cc1
InChIInChI=1S/C24H28ClN3O2/c1-16(2)30-15-20-7-5-19(6-8-20)14-26-24(29)13-23-17(3)27-28(18(23)4)22-11-9-21(25)10-12-22/h5-12,16H,13-15H2,1-4H3,(H,26,29)
InChIKeyYKJOLFFOMKKSCJ-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.93
Rot. Bonds8

About 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide

2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide (PubChem CID 55797450) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
PubChem CID55797450
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1ccc(COC(C)C)cc1
InChIInChI=1S/C24H28ClN3O2/c1-16(2)30-15-20-7-5-19(6-8-20)14-26-24(29)13-23-17(3)27-28(18(23)4)22-11-9-21(25)10-12-22/h5-12,16H,13-15H2,1-4H3,(H,26,29)
InChIKeyYKJOLFFOMKKSCJ-UHFFFAOYSA-N
XLogP4.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55761518
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-[2-(methylamino)ethyl]acetamide
CID 119502495
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 55756919
N-(3-aminopropyl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 119407249
2-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 119225106
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-hydroxypropan-2-yl)acetamide
CID 78884902
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55756579
N-[(4-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 40722802
N-[(4-bromophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106227
ethyl N-[1-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-4-methylpentan-2-yl]carbamate
CID 55761034
2-[2-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethylsulfanyl]acetic acid
CID 119241593

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide (CID 55797450) is 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide is Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1ccc(COC(C)C)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The InChIKey is YKJOLFFOMKKSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-16(2)30-15-20-7-5-19(6-8-20)14-26-24(29)13-23-17(3)27-28(18(23)4)22-11-9-21(25)10-12-22/h5-12,16H,13-15H2,1-4H3,(H,26,29).
What are the key properties of 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide has a molecular weight of 425.96 g/mol, XLogP of 4.93, 8 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-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55797450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).