5-(4-methylphenyl)-3-phenyl-1H-pyrazole

C16H14N2 — CID 11506914

IUPAC5-(4-methylphenyl)-3-phenyl-1H-pyrazole
SMILESCc1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C16H14N2/c1-12-7-9-14(10-8-12)16-11-15(17-18-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChIKeyGRHHDIWOOHIBFT-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.05
Rot. Bonds2

About 5-(4-methylphenyl)-3-phenyl-1H-pyrazole

5-(4-methylphenyl)-3-phenyl-1H-pyrazole (PubChem CID 11506914) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-phenyl-1H-pyrazole
PubChem CID11506914
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name5-(4-methylphenyl)-3-phenyl-1H-pyrazole
SMILESCc1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C16H14N2/c1-12-7-9-14(10-8-12)16-11-15(17-18-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChIKeyGRHHDIWOOHIBFT-UHFFFAOYSA-N
XLogP4.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone
CID 155037922
4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol
CID 135465890
2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline
CID 10682079
4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol
CID 136610688
ethane;5-methyl-3-phenyl-1H-pyrazole
CID 144662756
3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole
CID 4279179
4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
CID 781234
1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea
CID 68813926
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11045337
2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol
CID 137186634
2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83849137

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-phenyl-1H-pyrazole?
The IUPAC name of 5-(4-methylphenyl)-3-phenyl-1H-pyrazole (CID 11506914) is 5-(4-methylphenyl)-3-phenyl-1H-pyrazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-phenyl-1H-pyrazole?
The canonical SMILES for 5-(4-methylphenyl)-3-phenyl-1H-pyrazole is Cc1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-phenyl-1H-pyrazole?
The InChIKey is GRHHDIWOOHIBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-12-7-9-14(10-8-12)16-11-15(17-18-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18).
What are the key properties of 5-(4-methylphenyl)-3-phenyl-1H-pyrazole?
5-(4-methylphenyl)-3-phenyl-1H-pyrazole has a molecular weight of 234.30 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-phenyl-1H-pyrazole is sourced from PubChem (CID 11506914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).