4-(2-tert-butylpyrazol-3-yl)phenol

C13H16N2O — CID 136866730

IUPAC4-(2-tert-butylpyrazol-3-yl)phenol
SMILESCC(C)(C)n1nccc1-c1ccc(O)cc1
InChIInChI=1S/C13H16N2O/c1-13(2,3)15-12(8-9-14-15)10-4-6-11(16)7-5-10/h4-9,16H,1-3H3
InChIKeyWAWUBJKXJQYOMG-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.01
Rot. Bonds1

About 4-(2-tert-butylpyrazol-3-yl)phenol

4-(2-tert-butylpyrazol-3-yl)phenol (PubChem CID 136866730) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(2-tert-butylpyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-(2-tert-butylpyrazol-3-yl)phenol
PubChem CID136866730
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(2-tert-butylpyrazol-3-yl)phenol
SMILESCC(C)(C)n1nccc1-c1ccc(O)cc1
InChIInChI=1S/C13H16N2O/c1-13(2,3)15-12(8-9-14-15)10-4-6-11(16)7-5-10/h4-9,16H,1-3H3
InChIKeyWAWUBJKXJQYOMG-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butylpyrazol-3-yl)-4,6-difluorophenol
CID 137307455
2-(2-tert-butylpyrazol-3-yl)pyrimidine
CID 56956113
1-tert-butyl-5-iodopyrazole
CID 83382816
4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677649
5-amino-1-tert-butyl-3-(4-hydroxyphenyl)pyrazole-4-carboxamide
CID 135788276
4-(4-hydroxyphenyl)phenol;methanol
CID 159599615
2-tert-butyl-3-oxopyridazine-4-carboxylic acid
CID 12778306
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
2,6-ditert-butyl-4-(2-methylpyrazol-3-yl)phenol
CID 135964980
ethyl 2-tert-butylpyrazole-3-carboxylate
CID 56956209
1-N'-(2-tert-butylpyrazol-3-yl)ethane-1,1-diamine
CID 143570955
5-(4-chlorophenyl)-1-methylpyrazole
CID 12581093

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylpyrazol-3-yl)phenol?
The IUPAC name of 4-(2-tert-butylpyrazol-3-yl)phenol (CID 136866730) is 4-(2-tert-butylpyrazol-3-yl)phenol.
What is the SMILES notation for 4-(2-tert-butylpyrazol-3-yl)phenol?
The canonical SMILES for 4-(2-tert-butylpyrazol-3-yl)phenol is CC(C)(C)n1nccc1-c1ccc(O)cc1.
What is the InChIKey of 4-(2-tert-butylpyrazol-3-yl)phenol?
The InChIKey is WAWUBJKXJQYOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2,3)15-12(8-9-14-15)10-4-6-11(16)7-5-10/h4-9,16H,1-3H3.
What are the key properties of 4-(2-tert-butylpyrazol-3-yl)phenol?
4-(2-tert-butylpyrazol-3-yl)phenol has a molecular weight of 216.28 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylpyrazol-3-yl)phenol is sourced from PubChem (CID 136866730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).