4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine

C31H43N3O — CID 66993966

IUPAC4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine
SMILESCCc1cccc(CC)c1-c1cc(OC2CCCC2)c(Cn2nc(C(C)C)cc2C(C)C)c(C)n1
InChIInChI=1S/C31H43N3O/c1-8-23-13-12-14-24(9-2)31(23)28-18-30(35-25-15-10-11-16-25)26(22(7)32-28)19-34-29(21(5)6)17-27(33-34)20(3)4/h12-14,17-18,20-21,25H,8-11,15-16,19H2,1-7H3
InChIKeyVEMUOFCASKEZQY-UHFFFAOYSA-N
MW473.71 g/mol
LogP7.99
Rot. Bonds9

About 4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine

4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine (PubChem CID 66993966) has the molecular formula C31H43N3O and a molecular weight of 473.71 g/mol. Its IUPAC name is 4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine.

Molecular Properties

Compound Name4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine
PubChem CID66993966
Molecular FormulaC31H43N3O
Molecular Weight473.71 g/mol
Exact Mass473.34
IUPAC Name4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine
SMILESCCc1cccc(CC)c1-c1cc(OC2CCCC2)c(Cn2nc(C(C)C)cc2C(C)C)c(C)n1
InChIInChI=1S/C31H43N3O/c1-8-23-13-12-14-24(9-2)31(23)28-18-30(35-25-15-10-11-16-25)26(22(7)32-28)19-34-29(21(5)6)17-27(33-34)20(3)4/h12-14,17-18,20-21,25H,8-11,15-16,19H2,1-7H3
InChIKeyVEMUOFCASKEZQY-UHFFFAOYSA-N
XLogP7.99
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.71
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine?
The IUPAC name of 4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine (CID 66993966) is 4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine.
What is the SMILES notation for 4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine?
The canonical SMILES for 4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine is CCc1cccc(CC)c1-c1cc(OC2CCCC2)c(Cn2nc(C(C)C)cc2C(C)C)c(C)n1.
What is the InChIKey of 4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine?
The InChIKey is VEMUOFCASKEZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3O/c1-8-23-13-12-14-24(9-2)31(23)28-18-30(35-25-15-10-11-16-25)26(22(7)32-28)19-34-29(21(5)6)17-27(33-34)20(3)4/h12-14,17-18,20-21,25H,8-11,15-16,19H2,1-7H3.
What are the key properties of 4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine?
4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine has a molecular weight of 473.71 g/mol, XLogP of 7.99, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-6-(2,6-diethylphenyl)-3-[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]-2-methylpyridine is sourced from PubChem (CID 66993966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).