4-(5-phenylmethoxy-1H-pyrazol-4-yl)pyridine

C15H13N3O — CID 67461933

IUPAC4-(5-phenylmethoxy-1H-pyrazol-4-yl)pyridine
SMILESc1ccc(COc2[nH]ncc2-c2ccncc2)cc1
InChIInChI=1S/C15H13N3O/c1-2-4-12(5-3-1)11-19-15-14(10-17-18-15)13-6-8-16-9-7-13/h1-10H,11H2,(H,17,18)
InChIKeyDGVTYAZEEMRVFK-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.05
Rot. Bonds4

About 4-(5-phenylmethoxy-1H-pyrazol-4-yl)pyridine

4-(5-phenylmethoxy-1H-pyrazol-4-yl)pyridine (PubChem CID 67461933) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(5-phenylmethoxy-1H-pyrazol-4-yl)pyridine.

Molecular Properties

Compound Name4-(5-phenylmethoxy-1H-pyrazol-4-yl)pyridine
PubChem CID67461933
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-(5-phenylmethoxy-1H-pyrazol-4-yl)pyridine
SMILESc1ccc(COc2[nH]ncc2-c2ccncc2)cc1
InChIInChI=1S/C15H13N3O/c1-2-4-12(5-3-1)11-19-15-14(10-17-18-15)13-6-8-16-9-7-13/h1-10H,11H2,(H,17,18)
InChIKeyDGVTYAZEEMRVFK-UHFFFAOYSA-N
XLogP3.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 67459181
(4-phenyl-1H-pyrazol-5-yl) hydrogen carbonate
CID 70365113
4-[5-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrol-2-yl]pyridine
CID 141287683
methyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate
CID 69427072
4-(4-bromophenyl)-5-ethoxy-1H-pyrazole
CID 68572980
4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine
CID 102595555
4-(1H-pyrazol-5-yloxymethyl)pyridine
CID 164914774
6,7-bis(phenylmethoxy)isoquinoline
CID 14151864
2-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenol
CID 135677555
2-[3-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
CID 118375206
4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine
CID 170625032
2-phenylmethoxy-5-pyridin-4-ylbenzonitrile
CID 69398181

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylmethoxy-1H-pyrazol-4-yl)pyridine?
The IUPAC name of 4-(5-phenylmethoxy-1H-pyrazol-4-yl)pyridine (CID 67461933) is 4-(5-phenylmethoxy-1H-pyrazol-4-yl)pyridine.
What is the SMILES notation for 4-(5-phenylmethoxy-1H-pyrazol-4-yl)pyridine?
The canonical SMILES for 4-(5-phenylmethoxy-1H-pyrazol-4-yl)pyridine is c1ccc(COc2[nH]ncc2-c2ccncc2)cc1.
What is the InChIKey of 4-(5-phenylmethoxy-1H-pyrazol-4-yl)pyridine?
The InChIKey is DGVTYAZEEMRVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-4-12(5-3-1)11-19-15-14(10-17-18-15)13-6-8-16-9-7-13/h1-10H,11H2,(H,17,18).
What are the key properties of 4-(5-phenylmethoxy-1H-pyrazol-4-yl)pyridine?
4-(5-phenylmethoxy-1H-pyrazol-4-yl)pyridine has a molecular weight of 251.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylmethoxy-1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 67461933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).