3-phenoxy-5-phenyl-1H-pyrazole

C15H12N2O — CID 57028972

IUPAC3-phenoxy-5-phenyl-1H-pyrazole
SMILESc1ccc(Oc2cc(-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C15H12N2O/c1-3-7-12(8-4-1)14-11-15(17-16-14)18-13-9-5-2-6-10-13/h1-11H,(H,16,17)
InChIKeyTYNDKAVIPMIBQQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.87
Rot. Bonds3

About 3-phenoxy-5-phenyl-1H-pyrazole

3-phenoxy-5-phenyl-1H-pyrazole (PubChem CID 57028972) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-phenoxy-5-phenyl-1H-pyrazole.

Molecular Properties

Compound Name3-phenoxy-5-phenyl-1H-pyrazole
PubChem CID57028972
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-phenoxy-5-phenyl-1H-pyrazole
SMILESc1ccc(Oc2cc(-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C15H12N2O/c1-3-7-12(8-4-1)14-11-15(17-16-14)18-13-9-5-2-6-10-13/h1-11H,(H,16,17)
InChIKeyTYNDKAVIPMIBQQ-UHFFFAOYSA-N
XLogP3.87
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-phenyl-1H-pyrazol-3-yl) hydrogen carbonate
CID 68634601
1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]piperidine
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1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
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4-phenoxy-2-phenyl-1H-pyrimidin-6-one
CID 13185841
5-phenyl-3-pyrazol-1-yl-1H-pyrazole
CID 173358488
(5-phenyl-1H-pyrazol-3-yl)hydrazine
CID 13016518
5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914
2-phenoxy-6-(6-phenoxy-2-pyridinyl)pyridine
CID 10735915
2-(6-phenoxy-3-pyridinyl)-1H-indole
CID 150235769
6-phenoxy-2-phenylpyrimidin-4-amine
CID 115915894
5-phenoxy-2-phenyl-1H-indol-7-amine
CID 173108757
[3-[3-[3-[4-(trifluoromethyl)phenoxy]-1H-pyrazol-5-yl]phenyl]oxetan-3-yl]carbamic acid
CID 67111092

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-5-phenyl-1H-pyrazole?
The IUPAC name of 3-phenoxy-5-phenyl-1H-pyrazole (CID 57028972) is 3-phenoxy-5-phenyl-1H-pyrazole.
What is the SMILES notation for 3-phenoxy-5-phenyl-1H-pyrazole?
The canonical SMILES for 3-phenoxy-5-phenyl-1H-pyrazole is c1ccc(Oc2cc(-c3ccccc3)[nH]n2)cc1.
What is the InChIKey of 3-phenoxy-5-phenyl-1H-pyrazole?
The InChIKey is TYNDKAVIPMIBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-3-7-12(8-4-1)14-11-15(17-16-14)18-13-9-5-2-6-10-13/h1-11H,(H,16,17).
What are the key properties of 3-phenoxy-5-phenyl-1H-pyrazole?
3-phenoxy-5-phenyl-1H-pyrazole has a molecular weight of 236.27 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-5-phenyl-1H-pyrazole is sourced from PubChem (CID 57028972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).