4-chloro-2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)phenol

C20H16ClN3O — CID 136912371

IUPAC4-chloro-2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)phenol
SMILESOc1ccc(Cl)cc1C1=NN(c2ccccn2)C(c2ccccc2)C1
InChIInChI=1S/C20H16ClN3O/c21-15-9-10-19(25)16(12-15)17-13-18(14-6-2-1-3-7-14)24(23-17)20-8-4-5-11-22-20/h1-12,18,25H,13H2
InChIKeyBZSODIWLTBNDQE-UHFFFAOYSA-N
MW349.82 g/mol
LogP4.80
Rot. Bonds3

About 4-chloro-2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)phenol

4-chloro-2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)phenol (PubChem CID 136912371) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 4-chloro-2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)phenol
PubChem CID136912371
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name4-chloro-2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)phenol
SMILESOc1ccc(Cl)cc1C1=NN(c2ccccn2)C(c2ccccc2)C1
InChIInChI=1S/C20H16ClN3O/c21-15-9-10-19(25)16(12-15)17-13-18(14-6-2-1-3-7-14)24(23-17)20-8-4-5-11-22-20/h1-12,18,25H,13H2
InChIKeyBZSODIWLTBNDQE-UHFFFAOYSA-N
XLogP4.80
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 54.80
H-Bond Donors ≤ 51
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-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)phenol?
The IUPAC name of 4-chloro-2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)phenol (CID 136912371) is 4-chloro-2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)phenol.
What is the SMILES notation for 4-chloro-2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)phenol?
The canonical SMILES for 4-chloro-2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)phenol is Oc1ccc(Cl)cc1C1=NN(c2ccccn2)C(c2ccccc2)C1.
What is the InChIKey of 4-chloro-2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)phenol?
The InChIKey is BZSODIWLTBNDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c21-15-9-10-19(25)16(12-15)17-13-18(14-6-2-1-3-7-14)24(23-17)20-8-4-5-11-22-20/h1-12,18,25H,13H2.
What are the key properties of 4-chloro-2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)phenol?
4-chloro-2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)phenol has a molecular weight of 349.82 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)phenol is sourced from PubChem (CID 136912371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).