4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol

C14H12ClN3O — CID 3811786

IUPAC4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
SMILESOc1ccc(Cl)cc1C1=NNC(c2cccnc2)C1
InChIInChI=1S/C14H12ClN3O/c15-10-3-4-14(19)11(6-10)13-7-12(17-18-13)9-2-1-5-16-8-9/h1-6,8,12,17,19H,7H2
InChIKeySVETYCVPJQIWFK-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.88
Rot. Bonds2

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

4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol (PubChem CID 3811786) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
PubChem CID3811786
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
SMILESOc1ccc(Cl)cc1C1=NNC(c2cccnc2)C1
InChIInChI=1S/C14H12ClN3O/c15-10-3-4-14(19)11(6-10)13-7-12(17-18-13)9-2-1-5-16-8-9/h1-6,8,12,17,19H,7H2
InChIKeySVETYCVPJQIWFK-UHFFFAOYSA-N
XLogP2.88
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The IUPAC name of 4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol (CID 3811786) is 4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol.
What is the SMILES notation for 4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The canonical SMILES for 4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol is Oc1ccc(Cl)cc1C1=NNC(c2cccnc2)C1.
What is the InChIKey of 4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The InChIKey is SVETYCVPJQIWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-10-3-4-14(19)11(6-10)13-7-12(17-18-13)9-2-1-5-16-8-9/h1-6,8,12,17,19H,7H2.
What are the key properties of 4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol has a molecular weight of 273.72 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol is sourced from PubChem (CID 3811786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).