N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide

C20H20ClN3O3 — CID 55480827

IUPACN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C20H20ClN3O3/c1-13-9-19(24(23-13)16-6-4-5-15(21)11-16)22-20(25)10-14-7-8-17(26-2)12-18(14)27-3/h4-9,11-12H,10H2,1-3H3,(H,22,25)
InChIKeyYROCGMCXKAJOPO-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.03
Rot. Bonds6

About N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide (PubChem CID 55480827) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide
PubChem CID55480827
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C20H20ClN3O3/c1-13-9-19(24(23-13)16-6-4-5-15(21)11-16)22-20(25)10-14-7-8-17(26-2)12-18(14)27-3/h4-9,11-12H,10H2,1-3H3,(H,22,25)
InChIKeyYROCGMCXKAJOPO-UHFFFAOYSA-N
XLogP4.03
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110452122
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide
CID 55480987
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55686272
(E)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 55377766
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 55481155
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 55377380
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872728
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55571752
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55580424

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide (CID 55480827) is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)c(OC)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is YROCGMCXKAJOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-13-9-19(24(23-13)16-6-4-5-15(21)11-16)22-20(25)10-14-7-8-17(26-2)12-18(14)27-3/h4-9,11-12H,10H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide?
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 385.85 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 55480827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).