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

C19H18ClN3O2 — CID 46107112

IUPACN-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-13-10-18(22-23(13)16-5-3-4-15(20)12-16)21-19(24)11-14-6-8-17(25-2)9-7-14/h3-10,12H,11H2,1-2H3,(H,21,22,24)
InChIKeyZFUSJJRATWJXAU-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.02
Rot. Bonds5

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

N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 46107112) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID46107112
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-13-10-18(22-23(13)16-5-3-4-15(20)12-16)21-19(24)11-14-6-8-17(25-2)9-7-14/h3-10,12H,11H2,1-2H3,(H,21,22,24)
InChIKeyZFUSJJRATWJXAU-UHFFFAOYSA-N
XLogP4.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo[3,4-d]pyrimidin-4-one deriv. 19l
CID 135402961
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
N-[1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazol-3-yl]cyclohexanecarboxamide
CID 11963134
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-2-methyl-2-phenylpropanamide
CID 11963176
N-[1-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-5-methyl-1H-pyrazol-3-yl]-2-phenylacetamide
CID 44448324
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-2-cyclohexylacetamide
CID 44448372
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
CID 44448405
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]-2,2-difluoro-2-phenylacetamide
CID 44448743
3-(cyclohexen-1-yl)-7-hydroxy-6-(4-methoxyphenyl)-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137297367
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263
1-(4-methoxybenzoyl)-3-methyl-N-phenyl-1H-pyrazol-5-amine
CID 867969

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide (CID 46107112) is N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is ZFUSJJRATWJXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13-10-18(22-23(13)16-5-3-4-15(20)12-16)21-19(24)11-14-6-8-17(25-2)9-7-14/h3-10,12H,11H2,1-2H3,(H,21,22,24).
What are the key properties of N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide?
N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 355.83 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 46107112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).