4-methyl-2,6-bis(pyrazol-1-ylmethyl)phenol

C15H16N4O — CID 15875633

IUPAC4-methyl-2,6-bis(pyrazol-1-ylmethyl)phenol
SMILESCc1cc(Cn2cccn2)c(O)c(Cn2cccn2)c1
InChIInChI=1S/C15H16N4O/c1-12-8-13(10-18-6-2-4-16-18)15(20)14(9-12)11-19-7-3-5-17-19/h2-9,20H,10-11H2,1H3
InChIKeyFPLOIPFKUQUCTA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.19
Rot. Bonds4

About 4-methyl-2,6-bis(pyrazol-1-ylmethyl)phenol

4-methyl-2,6-bis(pyrazol-1-ylmethyl)phenol (PubChem CID 15875633) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-methyl-2,6-bis(pyrazol-1-ylmethyl)phenol.

Molecular Properties

Compound Name4-methyl-2,6-bis(pyrazol-1-ylmethyl)phenol
PubChem CID15875633
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-methyl-2,6-bis(pyrazol-1-ylmethyl)phenol
SMILESCc1cc(Cn2cccn2)c(O)c(Cn2cccn2)c1
InChIInChI=1S/C15H16N4O/c1-12-8-13(10-18-6-2-4-16-18)15(20)14(9-12)11-19-7-3-5-17-19/h2-9,20H,10-11H2,1H3
InChIKeyFPLOIPFKUQUCTA-UHFFFAOYSA-N
XLogP2.19
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(pyrazol-1-ylmethyl)phenol?
The IUPAC name of 4-methyl-2,6-bis(pyrazol-1-ylmethyl)phenol (CID 15875633) is 4-methyl-2,6-bis(pyrazol-1-ylmethyl)phenol.
What is the SMILES notation for 4-methyl-2,6-bis(pyrazol-1-ylmethyl)phenol?
The canonical SMILES for 4-methyl-2,6-bis(pyrazol-1-ylmethyl)phenol is Cc1cc(Cn2cccn2)c(O)c(Cn2cccn2)c1.
What is the InChIKey of 4-methyl-2,6-bis(pyrazol-1-ylmethyl)phenol?
The InChIKey is FPLOIPFKUQUCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-12-8-13(10-18-6-2-4-16-18)15(20)14(9-12)11-19-7-3-5-17-19/h2-9,20H,10-11H2,1H3.
What are the key properties of 4-methyl-2,6-bis(pyrazol-1-ylmethyl)phenol?
4-methyl-2,6-bis(pyrazol-1-ylmethyl)phenol has a molecular weight of 268.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(pyrazol-1-ylmethyl)phenol is sourced from PubChem (CID 15875633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).