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

C17H18N2O2 — CID 135590845

IUPAC2-[(5S)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol
SMILESCOc1cccc([C@@H]2CC(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/h3-9,15,18,20H,10H2,1-2H3/t15-/m0/s1
InChIKeyAZLNZAWNSCQBLC-HNNXBMFYSA-N
MW282.34 g/mol
LogP3.15
Rot. Bonds3

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

2-[(5S)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol (PubChem CID 135590845) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[(5S)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol.

Molecular Properties

Compound Name2-[(5S)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol
PubChem CID135590845
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[(5S)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol
SMILESCOc1cccc([C@@H]2CC(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/h3-9,15,18,20H,10H2,1-2H3/t15-/m0/s1
InChIKeyAZLNZAWNSCQBLC-HNNXBMFYSA-N
XLogP3.15
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135602935
2-[(5S)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
CID 136670257
4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742266
2-[3-(3-methoxyphenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol
CID 4193398
2-[5-(5-bromofuran-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol
CID 135734234
4-[2-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-methylphenoxy]-2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 177007342
4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3811786
2-[(5R,10bS)-5-(3-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methylphenol
CID 136753452
2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3830634
2-[5-(2,3-dimethoxynaphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methoxyphenol
CID 142742285
5-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 142742270
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-4,5-dihydro-1H-pyrazole
CID 14531319

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol?
The IUPAC name of 2-[(5S)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol (CID 135590845) is 2-[(5S)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol.
What is the SMILES notation for 2-[(5S)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol?
The canonical SMILES for 2-[(5S)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol is COc1cccc([C@@H]2CC(c3cc(C)ccc3O)=NN2)c1.
What is the InChIKey of 2-[(5S)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol?
The InChIKey is AZLNZAWNSCQBLC-HNNXBMFYSA-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/h3-9,15,18,20H,10H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-[(5S)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol?
2-[(5S)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol has a molecular weight of 282.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol is sourced from PubChem (CID 135590845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).