(3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol

C29H29N3O — CID 68763992

IUPAC(3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol
SMILESCn1ccc(/C=C2/CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2O)n1
InChIInChI=1S/C29H29N3O/c1-31-19-17-27(30-31)21-23-22-32(20-18-28(23)33)29(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-17,19,21,28,33H,18,20,22H2,1H3/b23-21-
InChIKeyGEQWTJRIHZTYMH-LNVKXUELSA-N
MW435.57 g/mol
LogP4.86
Rot. Bonds5

About (3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol

(3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol (PubChem CID 68763992) has the molecular formula C29H29N3O and a molecular weight of 435.57 g/mol. Its IUPAC name is (3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol.

Molecular Properties

Compound Name(3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol
PubChem CID68763992
Molecular FormulaC29H29N3O
Molecular Weight435.57 g/mol
Exact Mass435.23
IUPAC Name(3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol
SMILESCn1ccc(/C=C2/CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2O)n1
InChIInChI=1S/C29H29N3O/c1-31-19-17-27(30-31)21-23-22-32(20-18-28(23)33)29(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-17,19,21,28,33H,18,20,22H2,1H3/b23-21-
InChIKeyGEQWTJRIHZTYMH-LNVKXUELSA-N
XLogP4.86
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 752098
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
[1-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)-4-piperidinyl]methanol
CID 16188178
(1-(4-Methylphenyl)-3-phenyl-1H-pyrazol-4-YL)methanol
CID 3859567
2-[4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 16188292
1-(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)-3-phenyl-1-propanol
CID 16190683
1-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinol
CID 70742297
2-{1-benzyl-4-[(1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 16191916
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-3-piperidinol
CID 45196985
1'-[3-(1H-pyrazol-1-ylmethyl)benzyl]-1,4'-bipiperidin-4-ol
CID 50983971
1-[[1-Cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperidin-4-ol
CID 155526079
(1-{[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(3-pyridinyl)methanol
CID 45204468

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol?
The IUPAC name of (3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol (CID 68763992) is (3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol.
What is the SMILES notation for (3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol?
The canonical SMILES for (3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol is Cn1ccc(/C=C2/CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2O)n1.
What is the InChIKey of (3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol?
The InChIKey is GEQWTJRIHZTYMH-LNVKXUELSA-N. The full InChI is InChI=1S/C29H29N3O/c1-31-19-17-27(30-31)21-23-22-32(20-18-28(23)33)29(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-17,19,21,28,33H,18,20,22H2,1H3/b23-21-.
What are the key properties of (3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol?
(3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol has a molecular weight of 435.57 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(1-methylpyrazol-3-yl)methylidene]-1-tritylpiperidin-4-ol is sourced from PubChem (CID 68763992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).