2-(4-chlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide

C14H16ClN3O2 — CID 19288381

IUPAC2-(4-chlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)cc1CNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2/c1-10-11(8-18(2)17-10)7-16-14(19)9-20-13-5-3-12(15)4-6-13/h3-6,8H,7,9H2,1-2H3,(H,16,19)
InChIKeySYCNRDXJCSOYCG-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.08
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide

2-(4-chlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 19288381) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
PubChem CID19288381
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(4-chlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)cc1CNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O2/c1-10-11(8-18(2)17-10)7-16-14(19)9-20-13-5-3-12(15)4-6-13/h3-6,8H,7,9H2,1-2H3,(H,16,19)
InChIKeySYCNRDXJCSOYCG-UHFFFAOYSA-N
XLogP2.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide (CID 19288381) is 2-(4-chlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide is Cc1nn(C)cc1CNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is SYCNRDXJCSOYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-10-11(8-18(2)17-10)7-16-14(19)9-20-13-5-3-12(15)4-6-13/h3-6,8H,7,9H2,1-2H3,(H,16,19).
What are the key properties of 2-(4-chlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide?
2-(4-chlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 293.75 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 19288381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).