[3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone

C16H15N3O2 — CID 3078471

IUPAC[3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
SMILESCOc1ccccc1C1CC=NN1C(=O)c1cccnc1
InChIInChI=1S/C16H15N3O2/c1-21-15-7-3-2-6-13(15)14-8-10-18-19(14)16(20)12-5-4-9-17-11-12/h2-7,9-11,14H,8H2,1H3
InChIKeyRSYDSJSKTIGMSX-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.66
Rot. Bonds3

About [3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone

[3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone (PubChem CID 3078471) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
PubChem CID3078471
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name[3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
SMILESCOc1ccccc1C1CC=NN1C(=O)c1cccnc1
InChIInChI=1S/C16H15N3O2/c1-21-15-7-3-2-6-13(15)14-8-10-18-19(14)16(20)12-5-4-9-17-11-12/h2-7,9-11,14H,8H2,1H3
InChIKeyRSYDSJSKTIGMSX-UHFFFAOYSA-N
XLogP2.66
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone 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-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone (CID 3078471) is [3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone is COc1ccccc1C1CC=NN1C(=O)c1cccnc1.
What is the InChIKey of [3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
The InChIKey is RSYDSJSKTIGMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-15-7-3-2-6-13(15)14-8-10-18-19(14)16(20)12-5-4-9-17-11-12/h2-7,9-11,14H,8H2,1H3.
What are the key properties of [3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone?
[3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone has a molecular weight of 281.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 3078471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).