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

C19H18ClN3O2 — CID 19403248

IUPACN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccn(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C19H18ClN3O2/c1-14-5-2-3-8-17(14)25-13-19(24)21-18-9-10-23(22-18)12-15-6-4-7-16(20)11-15/h2-11H,12-13H2,1H3,(H,21,22,24)
InChIKeyNWNRDHWJYBQGJE-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.91
Rot. Bonds6

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

N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 19403248) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
PubChem CID19403248
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccn(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C19H18ClN3O2/c1-14-5-2-3-8-17(14)25-13-19(24)21-18-9-10-23(22-18)12-15-6-4-7-16(20)11-15/h2-11H,12-13H2,1H3,(H,21,22,24)
InChIKeyNWNRDHWJYBQGJE-UHFFFAOYSA-N
XLogP3.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19411642
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19286047
1-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19277824
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19403070
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19403141
5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19403189
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19403231
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19520712
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524979
4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403091
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19283650

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide (CID 19403248) is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccn(Cc2cccc(Cl)c2)n1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is NWNRDHWJYBQGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-14-5-2-3-8-17(14)25-13-19(24)21-18-9-10-23(22-18)12-15-6-4-7-16(20)11-15/h2-11H,12-13H2,1H3,(H,21,22,24).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide?
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 355.83 g/mol, XLogP of 3.91, 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]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 19403248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).