2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide

C19H18ClN3O2 — CID 53198503

IUPAC2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2n[nH]c(C)c2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C19H18ClN3O2/c1-12-18(13-6-4-3-5-7-13)19(23-22-12)21-17(24)10-14-8-9-15(25-2)11-16(14)20/h3-9,11H,10H2,1-2H3,(H2,21,22,23,24)
InChIKeyKPWLTUOYARPGAY-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.23
Rot. Bonds5

About 2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide

2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide (PubChem CID 53198503) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide
PubChem CID53198503
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2n[nH]c(C)c2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C19H18ClN3O2/c1-12-18(13-6-4-3-5-7-13)19(23-22-12)21-17(24)10-14-8-9-15(25-2)11-16(14)20/h3-9,11H,10H2,1-2H3,(H2,21,22,23,24)
InChIKeyKPWLTUOYARPGAY-UHFFFAOYSA-N
XLogP4.23
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide (CID 53198503) is 2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide is COc1ccc(CC(=O)Nc2n[nH]c(C)c2-c2ccccc2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is KPWLTUOYARPGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-18(13-6-4-3-5-7-13)19(23-22-12)21-17(24)10-14-8-9-15(25-2)11-16(14)20/h3-9,11H,10H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide?
2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 355.83 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 53198503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).