1-methyl-4-(4-phenylphenyl)pyrazole

C16H14N2 — CID 135064285

IUPAC1-methyl-4-(4-phenylphenyl)pyrazole
SMILESCn1cc(-c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C16H14N2/c1-18-12-16(11-17-18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyPDOJFDSCWIROHD-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.75
Rot. Bonds2

About 1-methyl-4-(4-phenylphenyl)pyrazole

1-methyl-4-(4-phenylphenyl)pyrazole (PubChem CID 135064285) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-methyl-4-(4-phenylphenyl)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(4-phenylphenyl)pyrazole
PubChem CID135064285
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name1-methyl-4-(4-phenylphenyl)pyrazole
SMILESCn1cc(-c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C16H14N2/c1-18-12-16(11-17-18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyPDOJFDSCWIROHD-UHFFFAOYSA-N
XLogP3.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-phenylphenyl)pyrazole?
The IUPAC name of 1-methyl-4-(4-phenylphenyl)pyrazole (CID 135064285) is 1-methyl-4-(4-phenylphenyl)pyrazole.
What is the SMILES notation for 1-methyl-4-(4-phenylphenyl)pyrazole?
The canonical SMILES for 1-methyl-4-(4-phenylphenyl)pyrazole is Cn1cc(-c2ccc(-c3ccccc3)cc2)cn1.
What is the InChIKey of 1-methyl-4-(4-phenylphenyl)pyrazole?
The InChIKey is PDOJFDSCWIROHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-18-12-16(11-17-18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of 1-methyl-4-(4-phenylphenyl)pyrazole?
1-methyl-4-(4-phenylphenyl)pyrazole has a molecular weight of 234.30 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-phenylphenyl)pyrazole is sourced from PubChem (CID 135064285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).