N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide

C19H17Cl2N3O2 — CID 46107900

IUPACN-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-12-9-18(23-24(12)14-5-8-16(20)17(21)11-14)22-19(25)10-13-3-6-15(26-2)7-4-13/h3-9,11H,10H2,1-2H3,(H,22,23,25)
InChIKeyRZUMTQIYKZZZHB-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.68
Rot. Bonds5

About N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide

N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 46107900) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID46107900
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC NameN-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-12-9-18(23-24(12)14-5-8-16(20)17(21)11-14)22-19(25)10-13-3-6-15(26-2)7-4-13/h3-9,11H,10H2,1-2H3,(H,22,23,25)
InChIKeyRZUMTQIYKZZZHB-UHFFFAOYSA-N
XLogP4.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride
CID 120874135
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
CID 46107097
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19393000
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
CID 39445145
N-(1-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 17052773
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19393064
2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19392908
2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide
CID 45485638
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
3,4-dichloro-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzamide
CID 34819420
2-(4-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35590496

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide (CID 46107900) is N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is RZUMTQIYKZZZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-12-9-18(23-24(12)14-5-8-16(20)17(21)11-14)22-19(25)10-13-3-6-15(26-2)7-4-13/h3-9,11H,10H2,1-2H3,(H,22,23,25).
What are the key properties of N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide?
N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 390.27 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 46107900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).