2-[4-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]pyrazol-1-yl]pyridine

C20H21N3O2 — CID 136555658

IUPAC2-[4-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]pyrazol-1-yl]pyridine
SMILESCOc1ccc(-c2cnn(-c3ccccn3)c2)cc1COC1CCC1
InChIInChI=1S/C20H21N3O2/c1-24-19-9-8-15(11-16(19)14-25-18-5-4-6-18)17-12-22-23(13-17)20-7-2-3-10-21-20/h2-3,7-13,18H,4-6,14H2,1H3
InChIKeyUBYKFCFJSRFMGM-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.01
Rot. Bonds6

About 2-[4-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]pyrazol-1-yl]pyridine

2-[4-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]pyrazol-1-yl]pyridine (PubChem CID 136555658) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[4-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]pyrazol-1-yl]pyridine
PubChem CID136555658
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[4-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]pyrazol-1-yl]pyridine
SMILESCOc1ccc(-c2cnn(-c3ccccn3)c2)cc1COC1CCC1
InChIInChI=1S/C20H21N3O2/c1-24-19-9-8-15(11-16(19)14-25-18-5-4-6-18)17-12-22-23(13-17)20-7-2-3-10-21-20/h2-3,7-13,18H,4-6,14H2,1H3
InChIKeyUBYKFCFJSRFMGM-UHFFFAOYSA-N
XLogP4.01
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]pyrazol-1-yl]pyridine?
The IUPAC name of 2-[4-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]pyrazol-1-yl]pyridine (CID 136555658) is 2-[4-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[4-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]pyrazol-1-yl]pyridine?
The canonical SMILES for 2-[4-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]pyrazol-1-yl]pyridine is COc1ccc(-c2cnn(-c3ccccn3)c2)cc1COC1CCC1.
What is the InChIKey of 2-[4-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]pyrazol-1-yl]pyridine?
The InChIKey is UBYKFCFJSRFMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-24-19-9-8-15(11-16(19)14-25-18-5-4-6-18)17-12-22-23(13-17)20-7-2-3-10-21-20/h2-3,7-13,18H,4-6,14H2,1H3.
What are the key properties of 2-[4-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]pyrazol-1-yl]pyridine?
2-[4-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]pyrazol-1-yl]pyridine has a molecular weight of 335.41 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]pyrazol-1-yl]pyridine is sourced from PubChem (CID 136555658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).