1-(2-methoxy-5-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-3-carboxamide

C18H23N3O3 — CID 48661774

IUPAC1-(2-methoxy-5-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)NCC2CCCOC2)n1
InChIInChI=1S/C18H23N3O3/c1-13-5-6-17(23-2)16(10-13)21-8-7-15(20-21)18(22)19-11-14-4-3-9-24-12-14/h5-8,10,14H,3-4,9,11-12H2,1-2H3,(H,19,22)
InChIKeyXUTRHBJNNWFGPC-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.35
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-3-carboxamide

1-(2-methoxy-5-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 48661774) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID48661774
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)NCC2CCCOC2)n1
InChIInChI=1S/C18H23N3O3/c1-13-5-6-17(23-2)16(10-13)21-8-7-15(20-21)18(22)19-11-14-4-3-9-24-12-14/h5-8,10,14H,3-4,9,11-12H2,1-2H3,(H,19,22)
InChIKeyXUTRHBJNNWFGPC-UHFFFAOYSA-N
XLogP2.35
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxy-5-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-3-carboxamide 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 1-(2-methoxy-5-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-3-carboxamide (CID 48661774) is 1-(2-methoxy-5-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-3-carboxamide is COc1ccc(C)cc1-n1ccc(C(=O)NCC2CCCOC2)n1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is XUTRHBJNNWFGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-5-6-17(23-2)16(10-13)21-8-7-15(20-21)18(22)19-11-14-4-3-9-24-12-14/h5-8,10,14H,3-4,9,11-12H2,1-2H3,(H,19,22).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-3-carboxamide?
1-(2-methoxy-5-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 48661774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).