2-[2,2,2-tris(3-phenylpyrazol-1-yl)ethoxymethyl]pyridine

C35H29N7O — CID 102040659

IUPAC2-[2,2,2-tris(3-phenylpyrazol-1-yl)ethoxymethyl]pyridine
SMILESc1ccc(-c2ccn(C(COCc3ccccn3)(n3ccc(-c4ccccc4)n3)n3ccc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C35H29N7O/c1-4-12-28(13-5-1)32-19-23-40(37-32)35(27-43-26-31-18-10-11-22-36-31,41-24-20-33(38-41)29-14-6-2-7-15-29)42-25-21-34(39-42)30-16-8-3-9-17-30/h1-25H,26-27H2
InChIKeyJVOKKEVLOVWKFH-UHFFFAOYSA-N
MW563.67 g/mol
LogP6.60
Rot. Bonds10

About 2-[2,2,2-tris(3-phenylpyrazol-1-yl)ethoxymethyl]pyridine

2-[2,2,2-tris(3-phenylpyrazol-1-yl)ethoxymethyl]pyridine (PubChem CID 102040659) has the molecular formula C35H29N7O and a molecular weight of 563.67 g/mol. Its IUPAC name is 2-[2,2,2-tris(3-phenylpyrazol-1-yl)ethoxymethyl]pyridine.

Molecular Properties

Compound Name2-[2,2,2-tris(3-phenylpyrazol-1-yl)ethoxymethyl]pyridine
PubChem CID102040659
Molecular FormulaC35H29N7O
Molecular Weight563.67 g/mol
Exact Mass563.24
IUPAC Name2-[2,2,2-tris(3-phenylpyrazol-1-yl)ethoxymethyl]pyridine
SMILESc1ccc(-c2ccn(C(COCc3ccccn3)(n3ccc(-c4ccccc4)n3)n3ccc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C35H29N7O/c1-4-12-28(13-5-1)32-19-23-40(37-32)35(27-43-26-31-18-10-11-22-36-31,41-24-20-33(38-41)29-14-6-2-7-15-29)42-25-21-34(39-42)30-16-8-3-9-17-30/h1-25H,26-27H2
InChIKeyJVOKKEVLOVWKFH-UHFFFAOYSA-N
XLogP6.60
TPSA75.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.67
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-(4-Fluorophenyl)-1-(2-phenylmethoxyethyl)-5-(3-phenylpropyl)pyrazol-4-yl]pyridine
CID 21992358
4-[5-(4-Fluorophenyl)-1-(2-phenylmethoxyethyl)-3-(3-phenylpropyl)pyrazol-4-yl]pyridine
CID 21992398
4-[3-(4-Fluorophenyl)-1-methyl-5-(phenylmethoxymethyl)pyrazol-4-yl]pyridine
CID 21992401
4-[3-(4-Fluorophenyl)-1-methyl-5-(2-phenylethoxymethyl)pyrazol-4-yl]pyridine
CID 69641994
4-(3,5-Dimethylpyrazol-1-yl)-6-[[4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-yl]methyl]pyrimidine
CID 149074875
4-(3,5-Dimethylpyrazol-1-yl)-6-[[4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-3-yl]methyl]pyrimidine
CID 160418892
2,6-Dipyridin-2-yl-4-[4-[2,2,2-tri(pyrazol-1-yl)ethoxymethyl]phenyl]pyridine
CID 101387274
4-[2,2,2-Tri(pyrazol-1-yl)ethoxymethyl]pyridine
CID 102346065
2-(4-Fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine
CID 53550946
2-(4-Fluorophenyl)-4-[(5-pyridin-3-ylpyrazol-1-yl)methyl]morpholine
CID 56822820
2-[Phenyl-(4-pyridin-2-ylbutoxy)-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 58621442
(2R)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine
CID 95158234

Frequently Asked Questions

What is the IUPAC name of 2-[2,2,2-tris(3-phenylpyrazol-1-yl)ethoxymethyl]pyridine?
The IUPAC name of 2-[2,2,2-tris(3-phenylpyrazol-1-yl)ethoxymethyl]pyridine (CID 102040659) is 2-[2,2,2-tris(3-phenylpyrazol-1-yl)ethoxymethyl]pyridine.
What is the SMILES notation for 2-[2,2,2-tris(3-phenylpyrazol-1-yl)ethoxymethyl]pyridine?
The canonical SMILES for 2-[2,2,2-tris(3-phenylpyrazol-1-yl)ethoxymethyl]pyridine is c1ccc(-c2ccn(C(COCc3ccccn3)(n3ccc(-c4ccccc4)n3)n3ccc(-c4ccccc4)n3)n2)cc1.
What is the InChIKey of 2-[2,2,2-tris(3-phenylpyrazol-1-yl)ethoxymethyl]pyridine?
The InChIKey is JVOKKEVLOVWKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N7O/c1-4-12-28(13-5-1)32-19-23-40(37-32)35(27-43-26-31-18-10-11-22-36-31,41-24-20-33(38-41)29-14-6-2-7-15-29)42-25-21-34(39-42)30-16-8-3-9-17-30/h1-25H,26-27H2.
What are the key properties of 2-[2,2,2-tris(3-phenylpyrazol-1-yl)ethoxymethyl]pyridine?
2-[2,2,2-tris(3-phenylpyrazol-1-yl)ethoxymethyl]pyridine has a molecular weight of 563.67 g/mol, XLogP of 6.60, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,2-tris(3-phenylpyrazol-1-yl)ethoxymethyl]pyridine is sourced from PubChem (CID 102040659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).