3-methyl-1,5-bis(4-methylphenyl)pyrazole

C18H18N2 — CID 59881727

IUPAC3-methyl-1,5-bis(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2cc(C)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N2/c1-13-4-8-16(9-5-13)18-12-15(3)19-20(18)17-10-6-14(2)7-11-17/h4-12H,1-3H3
InChIKeyYQKOTVGEOGLKIE-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.46
Rot. Bonds2

About 3-methyl-1,5-bis(4-methylphenyl)pyrazole

3-methyl-1,5-bis(4-methylphenyl)pyrazole (PubChem CID 59881727) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-methyl-1,5-bis(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name3-methyl-1,5-bis(4-methylphenyl)pyrazole
PubChem CID59881727
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name3-methyl-1,5-bis(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2cc(C)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N2/c1-13-4-8-16(9-5-13)18-12-15(3)19-20(18)17-10-6-14(2)7-11-17/h4-12H,1-3H3
InChIKeyYQKOTVGEOGLKIE-UHFFFAOYSA-N
XLogP4.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Difenzoquat metilsulfate
CID 39424
Difenzoquat
CID 39425
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)acetonitrile
CID 477596
Sant-1
CID 6878030
4-[4-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(trifluoromethyl)benzonitrile
CID 57401854
3,5-ditert-butyl-1-phenyl-1H-pyrazole
CID 1240104
2-(3,5-dimethyl-1H-pyrazol-1-yl)benzonitrile
CID 2804987
3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 854142

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5-bis(4-methylphenyl)pyrazole?
The IUPAC name of 3-methyl-1,5-bis(4-methylphenyl)pyrazole (CID 59881727) is 3-methyl-1,5-bis(4-methylphenyl)pyrazole.
What is the SMILES notation for 3-methyl-1,5-bis(4-methylphenyl)pyrazole?
The canonical SMILES for 3-methyl-1,5-bis(4-methylphenyl)pyrazole is Cc1ccc(-c2cc(C)nn2-c2ccc(C)cc2)cc1.
What is the InChIKey of 3-methyl-1,5-bis(4-methylphenyl)pyrazole?
The InChIKey is YQKOTVGEOGLKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-4-8-16(9-5-13)18-12-15(3)19-20(18)17-10-6-14(2)7-11-17/h4-12H,1-3H3.
What are the key properties of 3-methyl-1,5-bis(4-methylphenyl)pyrazole?
3-methyl-1,5-bis(4-methylphenyl)pyrazole has a molecular weight of 262.36 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5-bis(4-methylphenyl)pyrazole is sourced from PubChem (CID 59881727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).