4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide

C16H21N3O2 — CID 47082147

IUPAC4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H21N3O2/c1-10(15-11(2)18-19(4)12(15)3)17-16(20)13-6-8-14(21-5)9-7-13/h6-10H,1-5H3,(H,17,20)
InChIKeyXZZWLAPSSOLNQF-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.54
Rot. Bonds4

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

4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide (PubChem CID 47082147) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
PubChem CID47082147
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H21N3O2/c1-10(15-11(2)18-19(4)12(15)3)17-16(20)13-6-8-14(21-5)9-7-13/h6-10H,1-5H3,(H,17,20)
InChIKeyXZZWLAPSSOLNQF-UHFFFAOYSA-N
XLogP2.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]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 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide (CID 47082147) is 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide is COc1ccc(C(=O)NC(C)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is XZZWLAPSSOLNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(15-11(2)18-19(4)12(15)3)17-16(20)13-6-8-14(21-5)9-7-13/h6-10H,1-5H3,(H,17,20).
What are the key properties of 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 287.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 47082147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).