2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine

C25H19N3O — CID 15956875

IUPAC2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine
SMILESc1ccc(COc2ccc3ccccc3c2-c2ccn(-c3ccccn3)n2)cc1
InChIInChI=1S/C25H19N3O/c1-2-8-19(9-3-1)18-29-23-14-13-20-10-4-5-11-21(20)25(23)22-15-17-28(27-22)24-12-6-7-16-26-24/h1-17H,18H2
InChIKeyPDUVTIONPYGPKK-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.67
Rot. Bonds5

About 2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine

2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine (PubChem CID 15956875) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine
PubChem CID15956875
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine
SMILESc1ccc(COc2ccc3ccccc3c2-c2ccn(-c3ccccn3)n2)cc1
InChIInChI=1S/C25H19N3O/c1-2-8-19(9-3-1)18-29-23-14-13-20-10-4-5-11-21(20)25(23)22-15-17-28(27-22)24-12-6-7-16-26-24/h1-17H,18H2
InChIKeyPDUVTIONPYGPKK-UHFFFAOYSA-N
XLogP5.67
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylmethoxynaphthalen-1-yl)-1,3-benzothiazole
CID 126198654
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane
CID 16689049
2-(phenylmethoxymethoxy)-1-[2-(phenylmethoxymethoxymethoxy)naphthalen-1-yl]naphthalene
CID 101190162
2-(2-methoxynaphthalen-1-yl)pyridine
CID 71446434
2-[[4-(bromomethyl)phenyl]methoxy]-1-[2-[[4-(bromomethyl)phenyl]methoxy]naphthalen-1-yl]naphthalene
CID 11227562
2-[3-[3-(3-phenylphenyl)phenyl]pyrazol-1-yl]pyridine
CID 172854391
2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 169258581
2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine
CID 57213945
2-[1-[2-[[4-[[1-[2-(hydroxymethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyacetic acid
CID 169262013
4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol
CID 135429325
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine?
The IUPAC name of 2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine (CID 15956875) is 2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine?
The canonical SMILES for 2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine is c1ccc(COc2ccc3ccccc3c2-c2ccn(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine?
The InChIKey is PDUVTIONPYGPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O/c1-2-8-19(9-3-1)18-29-23-14-13-20-10-4-5-11-21(20)25(23)22-15-17-28(27-22)24-12-6-7-16-26-24/h1-17H,18H2.
What are the key properties of 2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine?
2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine has a molecular weight of 377.45 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylmethoxynaphthalen-1-yl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 15956875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).