2-(2-tert-butylpyrazol-3-yl)-4,6-difluorophenol

C13H14F2N2O — CID 137307455

IUPAC2-(2-tert-butylpyrazol-3-yl)-4,6-difluorophenol
SMILESCC(C)(C)n1nccc1-c1cc(F)cc(F)c1O
InChIInChI=1S/C13H14F2N2O/c1-13(2,3)17-11(4-5-16-17)9-6-8(14)7-10(15)12(9)18/h4-7,18H,1-3H3
InChIKeyJXQXJZWYPYTMFM-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.29
Rot. Bonds1

About 2-(2-tert-butylpyrazol-3-yl)-4,6-difluorophenol

2-(2-tert-butylpyrazol-3-yl)-4,6-difluorophenol (PubChem CID 137307455) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 2-(2-tert-butylpyrazol-3-yl)-4,6-difluorophenol.

Molecular Properties

Compound Name2-(2-tert-butylpyrazol-3-yl)-4,6-difluorophenol
PubChem CID137307455
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name2-(2-tert-butylpyrazol-3-yl)-4,6-difluorophenol
SMILESCC(C)(C)n1nccc1-c1cc(F)cc(F)c1O
InChIInChI=1S/C13H14F2N2O/c1-13(2,3)17-11(4-5-16-17)9-6-8(14)7-10(15)12(9)18/h4-7,18H,1-3H3
InChIKeyJXQXJZWYPYTMFM-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-6-(2-methylpyrazol-3-yl)phenol
CID 2804884
4-(2-tert-butylpyrazol-3-yl)phenol
CID 136866730
[6-(2-tert-butylpyrazol-3-yl)-3-chloro-2-fluorophenyl]methanol
CID 167774058
2-(2-tert-butylpyrazol-3-yl)pyrimidine
CID 56956113
methanol;2,4,6-trifluorophenol
CID 145053745
[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine
CID 81447352
2-(2-tert-butylpyrazol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2,4-dioxothiolan-3-yl)pyridine-4-carboxamide
CID 130298798
2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol
CID 117372735
[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine
CID 63962017
1-(2-tert-butylpyrazol-3-yl)-3-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]urea
CID 167940324
[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride
CID 171393057
2-[(1R)-1-aminoethyl]-4,6-difluorophenol
CID 130688365

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylpyrazol-3-yl)-4,6-difluorophenol?
The IUPAC name of 2-(2-tert-butylpyrazol-3-yl)-4,6-difluorophenol (CID 137307455) is 2-(2-tert-butylpyrazol-3-yl)-4,6-difluorophenol.
What is the SMILES notation for 2-(2-tert-butylpyrazol-3-yl)-4,6-difluorophenol?
The canonical SMILES for 2-(2-tert-butylpyrazol-3-yl)-4,6-difluorophenol is CC(C)(C)n1nccc1-c1cc(F)cc(F)c1O.
What is the InChIKey of 2-(2-tert-butylpyrazol-3-yl)-4,6-difluorophenol?
The InChIKey is JXQXJZWYPYTMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-13(2,3)17-11(4-5-16-17)9-6-8(14)7-10(15)12(9)18/h4-7,18H,1-3H3.
What are the key properties of 2-(2-tert-butylpyrazol-3-yl)-4,6-difluorophenol?
2-(2-tert-butylpyrazol-3-yl)-4,6-difluorophenol has a molecular weight of 252.26 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylpyrazol-3-yl)-4,6-difluorophenol is sourced from PubChem (CID 137307455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).