2-(5-trityl-1H-pyrazol-4-yl)ethanol

C24H22N2O — CID 67674618

IUPAC2-(5-trityl-1H-pyrazol-4-yl)ethanol
SMILESOCCc1cn[nH]c1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O/c27-17-16-19-18-25-26-23(19)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18,27H,16-17H2,(H,25,26)
InChIKeyKVOSMTCQWLNUEJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.33
Rot. Bonds6

About 2-(5-trityl-1H-pyrazol-4-yl)ethanol

2-(5-trityl-1H-pyrazol-4-yl)ethanol (PubChem CID 67674618) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(5-trityl-1H-pyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-trityl-1H-pyrazol-4-yl)ethanol
PubChem CID67674618
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name2-(5-trityl-1H-pyrazol-4-yl)ethanol
SMILESOCCc1cn[nH]c1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O/c27-17-16-19-18-25-26-23(19)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18,27H,16-17H2,(H,25,26)
InChIKeyKVOSMTCQWLNUEJ-UHFFFAOYSA-N
XLogP4.33
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-trityl-1H-pyrazol-4-ol
CID 70097747
O-[(5-trityl-1H-pyrazol-4-yl)methyl]hydroxylamine
CID 70536537
3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 2763521
2-[5-(hydroxymethyl)-1H-pyrazol-4-yl]ethanol
CID 151539359
2-(4-trityl-1H-imidazol-5-yl)ethanol
CID 169300212
4-benzyl-5-(trifluoromethyl)-1H-pyrazole
CID 121219370
3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 22420286
[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol
CID 47626527
1,1-bis(4-benzyl-1H-pyrazol-5-yl)ethane-1,2-diamine
CID 68666578
2-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenoxy]ethanol
CID 111457794
oxalic acid;[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
CID 118993591
[5-(1,1-difluoroethyl)-1H-pyrazol-4-yl]methanamine;hydrochloride
CID 155973658

Frequently Asked Questions

What is the IUPAC name of 2-(5-trityl-1H-pyrazol-4-yl)ethanol?
The IUPAC name of 2-(5-trityl-1H-pyrazol-4-yl)ethanol (CID 67674618) is 2-(5-trityl-1H-pyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(5-trityl-1H-pyrazol-4-yl)ethanol?
The canonical SMILES for 2-(5-trityl-1H-pyrazol-4-yl)ethanol is OCCc1cn[nH]c1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(5-trityl-1H-pyrazol-4-yl)ethanol?
The InChIKey is KVOSMTCQWLNUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c27-17-16-19-18-25-26-23(19)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18,27H,16-17H2,(H,25,26).
What are the key properties of 2-(5-trityl-1H-pyrazol-4-yl)ethanol?
2-(5-trityl-1H-pyrazol-4-yl)ethanol has a molecular weight of 354.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-trityl-1H-pyrazol-4-yl)ethanol is sourced from PubChem (CID 67674618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).