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

C21H31N3O — CID 155534366

IUPAC1-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol
SMILESCC(C)c1ccc(-c2cc(CN3CCCC(O)C3)nn2C(C)C)cc1
InChIInChI=1S/C21H31N3O/c1-15(2)17-7-9-18(10-8-17)21-12-19(22-24(21)16(3)4)13-23-11-5-6-20(25)14-23/h7-10,12,15-16,20,25H,5-6,11,13-14H2,1-4H3
InChIKeyKNBCNHLQEZPUMM-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.21
Rot. Bonds5

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

1-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol (PubChem CID 155534366) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol
PubChem CID155534366
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name1-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol
SMILESCC(C)c1ccc(-c2cc(CN3CCCC(O)C3)nn2C(C)C)cc1
InChIInChI=1S/C21H31N3O/c1-15(2)17-7-9-18(10-8-17)21-12-19(22-24(21)16(3)4)13-23-11-5-6-20(25)14-23/h7-10,12,15-16,20,25H,5-6,11,13-14H2,1-4H3
InChIKeyKNBCNHLQEZPUMM-UHFFFAOYSA-N
XLogP4.21
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-4-ol
CID 155526079
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
1-[(5-chloropyrazin-2-yl)methyl]piperidin-3-ol
CID 103054140
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol
CID 110904761
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
3-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-3-yl]propanoic acid
CID 122101047
4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 103898354
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol
CID 165424779

Frequently Asked Questions

What is the IUPAC name of 1-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol (CID 155534366) is 1-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol is CC(C)c1ccc(-c2cc(CN3CCCC(O)C3)nn2C(C)C)cc1.
What is the InChIKey of 1-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol?
The InChIKey is KNBCNHLQEZPUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-15(2)17-7-9-18(10-8-17)21-12-19(22-24(21)16(3)4)13-23-11-5-6-20(25)14-23/h7-10,12,15-16,20,25H,5-6,11,13-14H2,1-4H3.
What are the key properties of 1-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol?
1-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol has a molecular weight of 341.50 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-propan-2-yl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 155534366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).