5-trityl-1H-pyrazol-4-ol

C22H18N2O — CID 70097747

IUPAC5-trityl-1H-pyrazol-4-ol
SMILESOc1cn[nH]c1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O/c25-20-16-23-24-21(20)22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16,25H,(H,23,24)
InChIKeyOYPSVRRLPGHNPC-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.50
Rot. Bonds4

About 5-trityl-1H-pyrazol-4-ol

5-trityl-1H-pyrazol-4-ol (PubChem CID 70097747) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-trityl-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-trityl-1H-pyrazol-4-ol
PubChem CID70097747
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name5-trityl-1H-pyrazol-4-ol
SMILESOc1cn[nH]c1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O/c25-20-16-23-24-21(20)22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16,25H,(H,23,24)
InChIKeyOYPSVRRLPGHNPC-UHFFFAOYSA-N
XLogP4.50
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-trityl-1H-pyrazol-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

2-(5-trityl-1H-pyrazol-4-yl)ethanol
CID 67674618
O-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine
CID 70536537
CID 175980360
CID 175980360
4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol
CID 59253853
2-(2-trityl-1H-imidazol-5-yl)phenol
CID 67205769
3-tritylbenzene-1,2-diol
CID 68658229
5-(2-fluorophenyl)-1H-pyrazol-4-ol
CID 105437297
cyclodeca-2,4,6,8,10-pentaene-1,2-diol
CID 143742281
benzene-1,2-diol;hydrogen peroxide
CID 22924348
2,5-ditritylfuran
CID 135022622
5-chloro-1H-pyrazol-4-ol
CID 117232822

Frequently Asked Questions

What is the IUPAC name of 5-trityl-1H-pyrazol-4-ol?
The IUPAC name of 5-trityl-1H-pyrazol-4-ol (CID 70097747) is 5-trityl-1H-pyrazol-4-ol.
What is the SMILES notation for 5-trityl-1H-pyrazol-4-ol?
The canonical SMILES for 5-trityl-1H-pyrazol-4-ol is Oc1cn[nH]c1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-trityl-1H-pyrazol-4-ol?
The InChIKey is OYPSVRRLPGHNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c25-20-16-23-24-21(20)22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16,25H,(H,23,24).
What are the key properties of 5-trityl-1H-pyrazol-4-ol?
5-trityl-1H-pyrazol-4-ol has a molecular weight of 326.40 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trityl-1H-pyrazol-4-ol is sourced from PubChem (CID 70097747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).