4,5-dimethyl-1,3-diphenylpyrazole

C17H16N2 — CID 13258584

IUPAC4,5-dimethyl-1,3-diphenylpyrazole
SMILESCc1c(-c2ccccc2)nn(-c2ccccc2)c1C
InChIInChI=1S/C17H16N2/c1-13-14(2)19(16-11-7-4-8-12-16)18-17(13)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKeyQFEKFWDCGMZLMN-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.16
Rot. Bonds2

About 4,5-dimethyl-1,3-diphenylpyrazole

4,5-dimethyl-1,3-diphenylpyrazole (PubChem CID 13258584) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-diphenylpyrazole.

Molecular Properties

Compound Name4,5-dimethyl-1,3-diphenylpyrazole
PubChem CID13258584
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name4,5-dimethyl-1,3-diphenylpyrazole
SMILESCc1c(-c2ccccc2)nn(-c2ccccc2)c1C
InChIInChI=1S/C17H16N2/c1-13-14(2)19(16-11-7-4-8-12-16)18-17(13)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKeyQFEKFWDCGMZLMN-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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Related Compounds

Difenzoquat metilsulfate
CID 39424
Difenzoquat
CID 39425
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1-(2-Hydroxyethyl)-3,5-diphenyl-1H-pyrazole
CID 128748
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
Dimethylphenylpyrazole
CID 70800
Fezolamine
CID 54567
Sant-1
CID 6878030

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-diphenylpyrazole?
The IUPAC name of 4,5-dimethyl-1,3-diphenylpyrazole (CID 13258584) is 4,5-dimethyl-1,3-diphenylpyrazole.
What is the SMILES notation for 4,5-dimethyl-1,3-diphenylpyrazole?
The canonical SMILES for 4,5-dimethyl-1,3-diphenylpyrazole is Cc1c(-c2ccccc2)nn(-c2ccccc2)c1C.
What is the InChIKey of 4,5-dimethyl-1,3-diphenylpyrazole?
The InChIKey is QFEKFWDCGMZLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-13-14(2)19(16-11-7-4-8-12-16)18-17(13)15-9-5-3-6-10-15/h3-12H,1-2H3.
What are the key properties of 4,5-dimethyl-1,3-diphenylpyrazole?
4,5-dimethyl-1,3-diphenylpyrazole 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 4,5-dimethyl-1,3-diphenylpyrazole is sourced from PubChem (CID 13258584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).