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

C24H35N3O — CID 155526079

IUPAC1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-4-ol
SMILESCC(C)c1ccc(-c2cc(CN3CCC(O)CC3)nn2C2CCCCC2)cc1
InChIInChI=1S/C24H35N3O/c1-18(2)19-8-10-20(11-9-19)24-16-21(17-26-14-12-23(28)13-15-26)25-27(24)22-6-4-3-5-7-22/h8-11,16,18,22-23,28H,3-7,12-15,17H2,1-2H3
InChIKeyZGHYCHYWSBWMJY-UHFFFAOYSA-N
MW381.56 g/mol
LogP5.14
Rot. Bonds5

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

1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-4-ol (PubChem CID 155526079) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-4-ol
PubChem CID155526079
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-4-ol
SMILESCC(C)c1ccc(-c2cc(CN3CCC(O)CC3)nn2C2CCCCC2)cc1
InChIInChI=1S/C24H35N3O/c1-18(2)19-8-10-20(11-9-19)24-16-21(17-26-14-12-23(28)13-15-26)25-27(24)22-6-4-3-5-7-22/h8-11,16,18,22-23,28H,3-7,12-15,17H2,1-2H3
InChIKeyZGHYCHYWSBWMJY-UHFFFAOYSA-N
XLogP5.14
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.14
H-Bond Donors ≤ 51
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]piperidin-4-ol?
The IUPAC name of 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-4-ol (CID 155526079) is 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-4-ol is CC(C)c1ccc(-c2cc(CN3CCC(O)CC3)nn2C2CCCCC2)cc1.
What is the InChIKey of 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-4-ol?
The InChIKey is ZGHYCHYWSBWMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-18(2)19-8-10-20(11-9-19)24-16-21(17-26-14-12-23(28)13-15-26)25-27(24)22-6-4-3-5-7-22/h8-11,16,18,22-23,28H,3-7,12-15,17H2,1-2H3.
What are the key properties of 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-4-ol?
1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-4-ol has a molecular weight of 381.56 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 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]piperidin-4-ol is sourced from PubChem (CID 155526079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).