4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol

C16H15ClN2O2 — CID 15354441

IUPAC4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol
SMILESCOc1cc(C2CC(c3ccc(Cl)cc3)=NN2)ccc1O
InChIInChI=1S/C16H15ClN2O2/c1-21-16-8-11(4-7-15(16)20)14-9-13(18-19-14)10-2-5-12(17)6-3-10/h2-8,14,19-20H,9H2,1H3
InChIKeyTZDXEGRXAARBMO-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.49
Rot. Bonds3

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

4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol (PubChem CID 15354441) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol
PubChem CID15354441
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol
SMILESCOc1cc(C2CC(c3ccc(Cl)cc3)=NN2)ccc1O
InChIInChI=1S/C16H15ClN2O2/c1-21-16-8-11(4-7-15(16)20)14-9-13(18-19-14)10-2-5-12(17)6-3-10/h2-8,14,19-20H,9H2,1H3
InChIKeyTZDXEGRXAARBMO-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

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Related Compounds

2-Methoxy-5-(3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1h-pyrazol-5-yl) phenol
CID 23661691
2-methoxy-4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 137174990
5-(4-chlorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
CID 137648158
4-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methoxyphenol
CID 145986363
3-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazole
CID 56643533
Cambridge id 6612972
CID 3417197
4-chloro-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 4048231
5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
CID 44397720
4-[5-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzene-1,3-diol
CID 136240972
5-(2,6-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 42643484
2-[5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 2888224
4-[5-(3,4-Dimethoxy-phenyl)-4,5-dihydro-1h-pyrazol-3-yl]-phenol
CID 5133403

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol (CID 15354441) is 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol is COc1cc(C2CC(c3ccc(Cl)cc3)=NN2)ccc1O.
What is the InChIKey of 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol?
The InChIKey is TZDXEGRXAARBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-21-16-8-11(4-7-15(16)20)14-9-13(18-19-14)10-2-5-12(17)6-3-10/h2-8,14,19-20H,9H2,1H3.
What are the key properties of 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol?
4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol 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-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-methoxyphenol is sourced from PubChem (CID 15354441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).