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

C18H16ClN3O2 — CID 5004212

IUPACN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccn(Cc2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN3O2/c19-16-9-5-4-6-14(16)12-22-11-10-17(21-22)20-18(23)13-24-15-7-2-1-3-8-15/h1-11H,12-13H2,(H,20,21,23)
InChIKeyKQVUKJFOFNLKJO-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.60
Rot. Bonds6

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

N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-phenoxyacetamide (PubChem CID 5004212) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-phenoxyacetamide
PubChem CID5004212
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccn(Cc2ccccc2Cl)n1
InChIInChI=1S/C18H16ClN3O2/c19-16-9-5-4-6-14(16)12-22-11-10-17(21-22)20-18(23)13-24-15-7-2-1-3-8-15/h1-11H,12-13H2,(H,20,21,23)
InChIKeyKQVUKJFOFNLKJO-UHFFFAOYSA-N
XLogP3.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-phenoxyacetamide (CID 5004212) is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccn(Cc2ccccc2Cl)n1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-phenoxyacetamide?
The InChIKey is KQVUKJFOFNLKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-16-9-5-4-6-14(16)12-22-11-10-17(21-22)20-18(23)13-24-15-7-2-1-3-8-15/h1-11H,12-13H2,(H,20,21,23).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-phenoxyacetamide?
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-phenoxyacetamide has a molecular weight of 341.80 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 5004212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).