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

C15H12Cl2N2O — CID 3713697

IUPAC4-chloro-2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(Cl)cc1C1=NNC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H12Cl2N2O/c16-10-3-1-9(2-4-10)13-8-14(19-18-13)12-7-11(17)5-6-15(12)20/h1-7,13,18,20H,8H2
InChIKeyDPDIWXKPTXOXMN-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.14
Rot. Bonds2

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

4-chloro-2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (PubChem CID 3713697) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 4-chloro-2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
PubChem CID3713697
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name4-chloro-2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(Cl)cc1C1=NNC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H12Cl2N2O/c16-10-3-1-9(2-4-10)13-8-14(19-18-13)12-7-11(17)5-6-15(12)20/h1-7,13,18,20H,8H2
InChIKeyDPDIWXKPTXOXMN-UHFFFAOYSA-N
XLogP4.14
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-chloro-2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (CID 3713697) is 4-chloro-2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-chloro-2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-chloro-2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is Oc1ccc(Cl)cc1C1=NNC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-chloro-2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The InChIKey is DPDIWXKPTXOXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c16-10-3-1-9(2-4-10)13-8-14(19-18-13)12-7-11(17)5-6-15(12)20/h1-7,13,18,20H,8H2.
What are the key properties of 4-chloro-2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
4-chloro-2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol has a molecular weight of 307.18 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 3713697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).