3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide

C14H14ClN3O2 — CID 745024

IUPAC3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide
SMILESCc1cc(C)n(C(=O)CNC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H14ClN3O2/c1-9-6-10(2)18(17-9)13(19)8-16-14(20)11-4-3-5-12(15)7-11/h3-7H,8H2,1-2H3,(H,16,20)
InChIKeyZHNZROFLIBUAAU-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.22
Rot. Bonds3

About 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide

3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide (PubChem CID 745024) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide
PubChem CID745024
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide
SMILESCc1cc(C)n(C(=O)CNC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H14ClN3O2/c1-9-6-10(2)18(17-9)13(19)8-16-14(20)11-4-3-5-12(15)7-11/h3-7H,8H2,1-2H3,(H,16,20)
InChIKeyZHNZROFLIBUAAU-UHFFFAOYSA-N
XLogP2.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide (CID 745024) is 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide is Cc1cc(C)n(C(=O)CNC(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide?
The InChIKey is ZHNZROFLIBUAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-9-6-10(2)18(17-9)13(19)8-16-14(20)11-4-3-5-12(15)7-11/h3-7H,8H2,1-2H3,(H,16,20).
What are the key properties of 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide?
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide has a molecular weight of 291.74 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 745024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).