(4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol

C15H16N4O — CID 3839294

IUPAC(4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol
SMILESCc1ccc(C(O)c2ccnn2Cn2cccn2)cc1
InChIInChI=1S/C15H16N4O/c1-12-3-5-13(6-4-12)15(20)14-7-9-17-19(14)11-18-10-2-8-16-18/h2-10,15,20H,11H2,1H3
InChIKeyIDQZGFMCGVIEFR-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.98
Rot. Bonds4

About (4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol

(4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol (PubChem CID 3839294) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is (4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name(4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol
PubChem CID3839294
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name(4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol
SMILESCc1ccc(C(O)c2ccnn2Cn2cccn2)cc1
InChIInChI=1S/C15H16N4O/c1-12-3-5-13(6-4-12)15(20)14-7-9-17-19(14)11-18-10-2-8-16-18/h2-10,15,20H,11H2,1H3
InChIKeyIDQZGFMCGVIEFR-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol?
The IUPAC name of (4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol (CID 3839294) is (4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol.
What is the SMILES notation for (4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol?
The canonical SMILES for (4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol is Cc1ccc(C(O)c2ccnn2Cn2cccn2)cc1.
What is the InChIKey of (4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol?
The InChIKey is IDQZGFMCGVIEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-12-3-5-13(6-4-12)15(20)14-7-9-17-19(14)11-18-10-2-8-16-18/h2-10,15,20H,11H2,1H3.
What are the key properties of (4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol?
(4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol has a molecular weight of 268.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 3839294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).