5-chloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

C15H18ClN3O2 — CID 1223413

IUPAC5-chloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1c(C)nn(C)c1C
InChIInChI=1S/C15H18ClN3O2/c1-9-13(10(2)19(3)18-9)8-17-15(20)12-7-11(16)5-6-14(12)21-4/h5-7H,8H2,1-4H3,(H,17,20)
InChIKeyLGAFVVFTOJYMRH-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.63
Rot. Bonds4

About 5-chloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

5-chloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 1223413) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
PubChem CID1223413
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-chloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1c(C)nn(C)c1C
InChIInChI=1S/C15H18ClN3O2/c1-9-13(10(2)19(3)18-9)8-17-15(20)12-7-11(16)5-6-14(12)21-4/h5-7H,8H2,1-4H3,(H,17,20)
InChIKeyLGAFVVFTOJYMRH-UHFFFAOYSA-N
XLogP2.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]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 5-chloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (CID 1223413) is 5-chloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is COc1ccc(Cl)cc1C(=O)NCc1c(C)nn(C)c1C.
What is the InChIKey of 5-chloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is LGAFVVFTOJYMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-9-13(10(2)19(3)18-9)8-17-15(20)12-7-11(16)5-6-14(12)21-4/h5-7H,8H2,1-4H3,(H,17,20).
What are the key properties of 5-chloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
5-chloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 307.78 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 1223413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).