2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)phenol

C18H22N4O — CID 136603780

IUPAC2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)phenol
SMILESCn1cc(-c2ccc(O)c(-c3nn(C)cc3C(C)(C)C)c2)cn1
InChIInChI=1S/C18H22N4O/c1-18(2,3)15-11-22(5)20-17(15)14-8-12(6-7-16(14)23)13-9-19-21(4)10-13/h6-11,23H,1-5H3
InChIKeyGEZOJADQRZSEEB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.49
Rot. Bonds2

About 2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)phenol

2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)phenol (PubChem CID 136603780) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)phenol
PubChem CID136603780
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)phenol
SMILESCn1cc(-c2ccc(O)c(-c3nn(C)cc3C(C)(C)C)c2)cn1
InChIInChI=1S/C18H22N4O/c1-18(2,3)15-11-22(5)20-17(15)14-8-12(6-7-16(14)23)13-9-19-21(4)10-13/h6-11,23H,1-5H3
InChIKeyGEZOJADQRZSEEB-UHFFFAOYSA-N
XLogP3.49
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)phenol?
The IUPAC name of 2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)phenol (CID 136603780) is 2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)phenol.
What is the SMILES notation for 2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)phenol?
The canonical SMILES for 2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)phenol is Cn1cc(-c2ccc(O)c(-c3nn(C)cc3C(C)(C)C)c2)cn1.
What is the InChIKey of 2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)phenol?
The InChIKey is GEZOJADQRZSEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-18(2,3)15-11-22(5)20-17(15)14-8-12(6-7-16(14)23)13-9-19-21(4)10-13/h6-11,23H,1-5H3.
What are the key properties of 2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)phenol?
2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)phenol has a molecular weight of 310.40 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1-methylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)phenol is sourced from PubChem (CID 136603780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).