2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol

C17H18N2O2 — CID 4193398

IUPAC2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol
SMILESCOc1cccc(C2C=C(c3cc(C)ccc3O)NN2)c1
InChIInChI=1S/C17H18N2O2/c1-11-6-7-17(20)14(8-11)16-10-15(18-19-16)12-4-3-5-13(9-12)21-2/h3-10,15,18-20H,1-2H3
InChIKeyZDZQURSVXJYXBS-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.90
Rot. Bonds3

About 2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol

2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol (PubChem CID 4193398) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol
PubChem CID4193398
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol
SMILESCOc1cccc(C2C=C(c3cc(C)ccc3O)NN2)c1
InChIInChI=1S/C17H18N2O2/c1-11-6-7-17(20)14(8-11)16-10-15(18-19-16)12-4-3-5-13(9-12)21-2/h3-10,15,18-20H,1-2H3
InChIKeyZDZQURSVXJYXBS-UHFFFAOYSA-N
XLogP2.90
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol
CID 4193392
2-[(5S)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol
CID 135590845
2-[(5R,10bS)-5-(3-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methylphenol
CID 136753452
2-(2-fluoro-4-methoxyphenyl)-4-methylphenol
CID 83130401
3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole
CID 162757963
3-(2-hydroxy-5-methylphenyl)-5-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135657157
3-(3-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116837497
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride
CID 159050723
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215
2-(3-methoxyphenyl)-1,4-dimethylbenzene
CID 66641424
2-(2-methoxy-6-methylphenyl)-4-methylphenol
CID 165349659
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol?
The IUPAC name of 2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol (CID 4193398) is 2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol is COc1cccc(C2C=C(c3cc(C)ccc3O)NN2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol?
The InChIKey is ZDZQURSVXJYXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-6-7-17(20)14(8-11)16-10-15(18-19-16)12-4-3-5-13(9-12)21-2/h3-10,15,18-20H,1-2H3.
What are the key properties of 2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol?
2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol has a molecular weight of 282.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol is sourced from PubChem (CID 4193398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).