1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine

C25H37N3O — CID 155526986

IUPAC1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine
SMILESCOC1CCN(Cc2cc(-c3ccc(C(C)C)cc3)n(C3CCCCC3)n2)CC1
InChIInChI=1S/C25H37N3O/c1-19(2)20-9-11-21(12-10-20)25-17-22(18-27-15-13-24(29-3)14-16-27)26-28(25)23-7-5-4-6-8-23/h9-12,17,19,23-24H,4-8,13-16,18H2,1-3H3
InChIKeyPEPICZYQAQCZSI-UHFFFAOYSA-N
MW395.59 g/mol
LogP5.79
Rot. Bonds6

About 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine

1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine (PubChem CID 155526986) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine
PubChem CID155526986
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC Name1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine
SMILESCOC1CCN(Cc2cc(-c3ccc(C(C)C)cc3)n(C3CCCCC3)n2)CC1
InChIInChI=1S/C25H37N3O/c1-19(2)20-9-11-21(12-10-20)25-17-22(18-27-15-13-24(29-3)14-16-27)26-28(25)23-7-5-4-6-8-23/h9-12,17,19,23-24H,4-8,13-16,18H2,1-3H3
InChIKeyPEPICZYQAQCZSI-UHFFFAOYSA-N
XLogP5.79
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine?
The IUPAC name of 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine (CID 155526986) is 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine?
The canonical SMILES for 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine is COC1CCN(Cc2cc(-c3ccc(C(C)C)cc3)n(C3CCCCC3)n2)CC1.
What is the InChIKey of 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine?
The InChIKey is PEPICZYQAQCZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O/c1-19(2)20-9-11-21(12-10-20)25-17-22(18-27-15-13-24(29-3)14-16-27)26-28(25)23-7-5-4-6-8-23/h9-12,17,19,23-24H,4-8,13-16,18H2,1-3H3.
What are the key properties of 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine?
1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine has a molecular weight of 395.59 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine is sourced from PubChem (CID 155526986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).