[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone

C24H27N3O3 — CID 86971207

IUPAC[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N2CCCC(COc3ccccc3)C2)n1
InChIInChI=1S/C24H27N3O3/c1-18-10-11-23(29-2)22(15-18)27-14-12-21(25-27)24(28)26-13-6-7-19(16-26)17-30-20-8-4-3-5-9-20/h3-5,8-12,14-15,19H,6-7,13,16-17H2,1-2H3
InChIKeyLQAIEQOREDQSGM-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.12
Rot. Bonds6

About [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone

[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone (PubChem CID 86971207) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
PubChem CID86971207
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N2CCCC(COc3ccccc3)C2)n1
InChIInChI=1S/C24H27N3O3/c1-18-10-11-23(29-2)22(15-18)27-14-12-21(25-27)24(28)26-13-6-7-19(16-26)17-30-20-8-4-3-5-9-20/h3-5,8-12,14-15,19H,6-7,13,16-17H2,1-2H3
InChIKeyLQAIEQOREDQSGM-UHFFFAOYSA-N
XLogP4.12
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone 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)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone (CID 86971207) is [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone is COc1ccc(C)cc1-n1ccc(C(=O)N2CCCC(COc3ccccc3)C2)n1.
What is the InChIKey of [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The InChIKey is LQAIEQOREDQSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-18-10-11-23(29-2)22(15-18)27-14-12-21(25-27)24(28)26-13-6-7-19(16-26)17-30-20-8-4-3-5-9-20/h3-5,8-12,14-15,19H,6-7,13,16-17H2,1-2H3.
What are the key properties of [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone has a molecular weight of 405.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 86971207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).