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

C16H15ClN2O2 — CID 2936369

IUPAC4-chloro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESCOc1ccccc1C1CC(c2cc(Cl)ccc2O)=NN1
InChIInChI=1S/C16H15ClN2O2/c1-21-16-5-3-2-4-11(16)13-9-14(19-18-13)12-8-10(17)6-7-15(12)20/h2-8,13,18,20H,9H2,1H3
InChIKeyJWFLLVHSWBGEKX-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.49
Rot. Bonds3

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

4-chloro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (PubChem CID 2936369) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-chloro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
PubChem CID2936369
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name4-chloro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESCOc1ccccc1C1CC(c2cc(Cl)ccc2O)=NN1
InChIInChI=1S/C16H15ClN2O2/c1-21-16-5-3-2-4-11(16)13-9-14(19-18-13)12-8-10(17)6-7-15(12)20/h2-8,13,18,20H,9H2,1H3
InChIKeyJWFLLVHSWBGEKX-UHFFFAOYSA-N
XLogP3.49
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.49
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

2,4-dichloro-6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 4359519
4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol
CID 15354441
2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol
CID 2936980
2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 4738346
4-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methoxyphenol
CID 145986363
Phenol, 2-[4,5-dihydro-5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-
CID 3139422
4-chloro-2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 3713697
4-chloro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 3771162
4-chloro-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 4048231
1-[3-(5-Chloro-2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 71458339
5-(2,6-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 42646851
2-[5-(6-chloro-4H-1,3-benzodioxin-8-yl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenol
CID 2923914

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-chloro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (CID 2936369) is 4-chloro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-chloro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-chloro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is COc1ccccc1C1CC(c2cc(Cl)ccc2O)=NN1.
What is the InChIKey of 4-chloro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The InChIKey is JWFLLVHSWBGEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-21-16-5-3-2-4-11(16)13-9-14(19-18-13)12-8-10(17)6-7-15(12)20/h2-8,13,18,20H,9H2,1H3.
What are the key properties of 4-chloro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
4-chloro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol has a molecular weight of 302.76 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 2936369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).