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

C15H13ClN2O — CID 4103570

IUPAC2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1C1CC(c2ccc(Cl)cc2)=NN1
InChIInChI=1S/C15H13ClN2O/c16-11-7-5-10(6-8-11)13-9-14(18-17-13)12-3-1-2-4-15(12)19/h1-8,14,18-19H,9H2
InChIKeyZOTJTRRGWVNLNV-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.48
Rot. Bonds2

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

2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol (PubChem CID 4103570) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
PubChem CID4103570
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1C1CC(c2ccc(Cl)cc2)=NN1
InChIInChI=1S/C15H13ClN2O/c16-11-7-5-10(6-8-11)13-9-14(18-17-13)12-3-1-2-4-15(12)19/h1-8,14,18-19H,9H2
InChIKeyZOTJTRRGWVNLNV-UHFFFAOYSA-N
XLogP3.48
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol (CID 4103570) is 2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol is Oc1ccccc1C1CC(c2ccc(Cl)cc2)=NN1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
The InChIKey is ZOTJTRRGWVNLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-11-7-5-10(6-8-11)13-9-14(18-17-13)12-3-1-2-4-15(12)19/h1-8,14,18-19H,9H2.
What are the key properties of 2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?
2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol has a molecular weight of 272.74 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 4103570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).