2-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]phenol

C19H20N2O — CID 775984

IUPAC2-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]phenol
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccccc3O)[nH]n2)cc1
InChIInChI=1S/C19H20N2O/c1-19(2,3)14-10-8-13(9-11-14)16-12-17(21-20-16)15-6-4-5-7-18(15)22/h4-12,22H,1-3H3,(H,20,21)
InChIKeyGKFUWGIKXZPLAX-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.75
Rot. Bonds2

About 2-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]phenol

2-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]phenol (PubChem CID 775984) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]phenol
PubChem CID775984
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]phenol
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccccc3O)[nH]n2)cc1
InChIInChI=1S/C19H20N2O/c1-19(2,3)14-10-8-13(9-11-14)16-12-17(21-20-16)15-6-4-5-7-18(15)22/h4-12,22H,1-3H3,(H,20,21)
InChIKeyGKFUWGIKXZPLAX-UHFFFAOYSA-N
XLogP4.75
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]phenol (CID 775984) is 2-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]phenol is CC(C)(C)c1ccc(-c2cc(-c3ccccc3O)[nH]n2)cc1.
What is the InChIKey of 2-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is GKFUWGIKXZPLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-19(2,3)14-10-8-13(9-11-14)16-12-17(21-20-16)15-6-4-5-7-18(15)22/h4-12,22H,1-3H3,(H,20,21).
What are the key properties of 2-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]phenol?
2-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]phenol has a molecular weight of 292.38 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 775984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).