1,3-bis(4-methylphenyl)pyrazole

C17H16N2 — CID 163429464

IUPAC1,3-bis(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2ccn(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H16N2/c1-13-3-7-15(8-4-13)17-11-12-19(18-17)16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKeyAPFVXQSPWBTEHR-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.16
Rot. Bonds2

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

1,3-bis(4-methylphenyl)pyrazole (PubChem CID 163429464) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1,3-bis(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name1,3-bis(4-methylphenyl)pyrazole
PubChem CID163429464
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name1,3-bis(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2ccn(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H16N2/c1-13-3-7-15(8-4-13)17-11-12-19(18-17)16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKeyAPFVXQSPWBTEHR-UHFFFAOYSA-N
XLogP4.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methylphenyl)pyrazole?
The IUPAC name of 1,3-bis(4-methylphenyl)pyrazole (CID 163429464) is 1,3-bis(4-methylphenyl)pyrazole.
What is the SMILES notation for 1,3-bis(4-methylphenyl)pyrazole?
The canonical SMILES for 1,3-bis(4-methylphenyl)pyrazole is Cc1ccc(-c2ccn(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 1,3-bis(4-methylphenyl)pyrazole?
The InChIKey is APFVXQSPWBTEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-13-3-7-15(8-4-13)17-11-12-19(18-17)16-9-5-14(2)6-10-16/h3-12H,1-2H3.
What are the key properties of 1,3-bis(4-methylphenyl)pyrazole?
1,3-bis(4-methylphenyl)pyrazole has a molecular weight of 248.33 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylphenyl)pyrazole is sourced from PubChem (CID 163429464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).