N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide

C20H20ClN3O2 — CID 19411642

IUPACN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1cc(C)n(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C20H20ClN3O2/c1-14-6-3-4-9-18(14)26-13-20(25)22-19-10-15(2)24(23-19)12-16-7-5-8-17(21)11-16/h3-11H,12-13H2,1-2H3,(H,22,23,25)
InChIKeyJZJYRKVRLSAPDS-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.22
Rot. Bonds6

About N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 19411642) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
PubChem CID19411642
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1cc(C)n(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C20H20ClN3O2/c1-14-6-3-4-9-18(14)26-13-20(25)22-19-10-15(2)24(23-19)12-16-7-5-8-17(21)11-16/h3-11H,12-13H2,1-2H3,(H,22,23,25)
InChIKeyJZJYRKVRLSAPDS-UHFFFAOYSA-N
XLogP4.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 19411380
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19403248
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19337089
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
CID 19411607
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19411613
methyl 4-[[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]benzoate
CID 19411591
N-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-phenoxyacetamide
CID 6459561
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19284024
2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19392908
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19411503
2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 17468468
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide
CID 19411471

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide (CID 19411642) is N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1cc(C)n(Cc2cccc(Cl)c2)n1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is JZJYRKVRLSAPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14-6-3-4-9-18(14)26-13-20(25)22-19-10-15(2)24(23-19)12-16-7-5-8-17(21)11-16/h3-11H,12-13H2,1-2H3,(H,22,23,25).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 369.85 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 19411642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).