N-(1-benzylpyrazol-4-yl)-2-(2-chlorophenoxy)acetamide

C18H16ClN3O2 — CID 832073

IUPACN-(1-benzylpyrazol-4-yl)-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H16ClN3O2/c19-16-8-4-5-9-17(16)24-13-18(23)21-15-10-20-22(12-15)11-14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,21,23)
InChIKeyYPFWSJWGJRLVIJ-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.60
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)-2-(2-chlorophenoxy)acetamide

N-(1-benzylpyrazol-4-yl)-2-(2-chlorophenoxy)acetamide (PubChem CID 832073) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-(2-chlorophenoxy)acetamide
PubChem CID832073
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H16ClN3O2/c19-16-8-4-5-9-17(16)24-13-18(23)21-15-10-20-22(12-15)11-14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,21,23)
InChIKeyYPFWSJWGJRLVIJ-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-benzylpyrazol-4-yl)-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(2-chlorophenoxy)acetamide (CID 832073) is N-(1-benzylpyrazol-4-yl)-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-(2-chlorophenoxy)acetamide is O=C(COc1ccccc1Cl)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-(2-chlorophenoxy)acetamide?
The InChIKey is YPFWSJWGJRLVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-16-8-4-5-9-17(16)24-13-18(23)21-15-10-20-22(12-15)11-14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,21,23).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-(2-chlorophenoxy)acetamide?
N-(1-benzylpyrazol-4-yl)-2-(2-chlorophenoxy)acetamide 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-benzylpyrazol-4-yl)-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 832073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).