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

C22H22N8O — CID 4639787

IUPAC(4-methylphenyl)-bis[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol
SMILESCc1ccc(C(O)(c2ccnn2Cn2cccn2)c2ccnn2Cn2cccn2)cc1
InChIInChI=1S/C22H22N8O/c1-18-4-6-19(7-5-18)22(31,20-8-12-25-29(20)16-27-14-2-10-23-27)21-9-13-26-30(21)17-28-15-3-11-24-28/h2-15,31H,16-17H2,1H3
InChIKeyIRBKHIQHUMHYPB-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.08
Rot. Bonds7

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

(4-methylphenyl)-bis[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol (PubChem CID 4639787) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is (4-methylphenyl)-bis[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name(4-methylphenyl)-bis[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol
PubChem CID4639787
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name(4-methylphenyl)-bis[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol
SMILESCc1ccc(C(O)(c2ccnn2Cn2cccn2)c2ccnn2Cn2cccn2)cc1
InChIInChI=1S/C22H22N8O/c1-18-4-6-19(7-5-18)22(31,20-8-12-25-29(20)16-27-14-2-10-23-27)21-9-13-26-30(21)17-28-15-3-11-24-28/h2-15,31H,16-17H2,1H3
InChIKeyIRBKHIQHUMHYPB-UHFFFAOYSA-N
XLogP2.08
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4-methylphenyl)-bis[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diphenyl-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol
CID 3835370
(4-methylphenyl)-[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol
CID 3839294
(1-ethylimidazol-2-yl)-(4-methylphenyl)-phenylmethanol
CID 2881215
1-(4-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107329790
5-methyl-3-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-one
CID 130610602
2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol
CID 115401007
4-(2-propylpyrazol-3-yl)heptan-4-ol
CID 114865852
1-[(2,6-dimethylphenyl)methyl]pyrazole
CID 79032553
2-imidazol-1-yl-1-(4-methylphenyl)-1-phenylethanol
CID 15085528
2-methoxy-1-phenyl-1-(2-propylpyrazol-3-yl)ethanol
CID 103465225
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-pyrazol-1-ylethanamine
CID 118794345

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-bis[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol?
The IUPAC name of (4-methylphenyl)-bis[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol (CID 4639787) is (4-methylphenyl)-bis[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol.
What is the SMILES notation for (4-methylphenyl)-bis[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol?
The canonical SMILES for (4-methylphenyl)-bis[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol is Cc1ccc(C(O)(c2ccnn2Cn2cccn2)c2ccnn2Cn2cccn2)cc1.
What is the InChIKey of (4-methylphenyl)-bis[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol?
The InChIKey is IRBKHIQHUMHYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-18-4-6-19(7-5-18)22(31,20-8-12-25-29(20)16-27-14-2-10-23-27)21-9-13-26-30(21)17-28-15-3-11-24-28/h2-15,31H,16-17H2,1H3.
What are the key properties of (4-methylphenyl)-bis[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol?
(4-methylphenyl)-bis[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol has a molecular weight of 414.47 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-bis[2-(pyrazol-1-ylmethyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 4639787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).