3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole

C18H18N2 — CID 71568660

IUPAC3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole
SMILESCc1cccc(Cc2cc(-c3cccc(C)c3)n[nH]2)c1
InChIInChI=1S/C18H18N2/c1-13-5-3-7-15(9-13)11-17-12-18(20-19-17)16-8-4-6-14(2)10-16/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyIMZLFRPRLLOXPS-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.28
Rot. Bonds3

About 3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole

3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole (PubChem CID 71568660) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole.

Molecular Properties

Compound Name3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole
PubChem CID71568660
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole
SMILESCc1cccc(Cc2cc(-c3cccc(C)c3)n[nH]2)c1
InChIInChI=1S/C18H18N2/c1-13-5-3-7-15(9-13)11-17-12-18(20-19-17)16-8-4-6-14(2)10-16/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyIMZLFRPRLLOXPS-UHFFFAOYSA-N
XLogP4.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62111524
3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol
CID 91248894
5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529456
5-benzyl-3-(3-nitrophenyl)-1H-pyrazole
CID 91385743
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
CID 46990087
5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole
CID 69037485
3-methyl-N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]oxetane-3-carboxamide
CID 141430324
3,5-dimethyl-1-[3-[[3-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]phenyl]pyrazole
CID 159817275
4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
CID 118532825
5-[(3-methylphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 90351403
1-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylmethanamine
CID 62111510
3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83644193

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole?
The IUPAC name of 3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole (CID 71568660) is 3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole.
What is the SMILES notation for 3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole?
The canonical SMILES for 3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole is Cc1cccc(Cc2cc(-c3cccc(C)c3)n[nH]2)c1.
What is the InChIKey of 3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole?
The InChIKey is IMZLFRPRLLOXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-5-3-7-15(9-13)11-17-12-18(20-19-17)16-8-4-6-14(2)10-16/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole?
3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole has a molecular weight of 262.36 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole is sourced from PubChem (CID 71568660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).