1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole

C13H16N2 — CID 39240351

IUPAC1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)cc(-n2nc(C)cc2C)c1
InChIInChI=1S/C13H16N2/c1-9-5-10(2)7-13(6-9)15-12(4)8-11(3)14-15/h5-8H,1-4H3
InChIKeyGTFQUNRTWGUSCN-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.11
Rot. Bonds1

About 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole

1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole (PubChem CID 39240351) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole
PubChem CID39240351
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)cc(-n2nc(C)cc2C)c1
InChIInChI=1S/C13H16N2/c1-9-5-10(2)7-13(6-9)15-12(4)8-11(3)14-15/h5-8H,1-4H3
InChIKeyGTFQUNRTWGUSCN-UHFFFAOYSA-N
XLogP3.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,5-dimethylpyrazol-1-yl)benzene-1,3-dicarboxylic acid
CID 976376
4-(3,5-dimethylpyrazol-1-yl)benzaldehyde
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1-(3-fluoro-5-methylphenyl)-5-methylpyrazol-3-amine
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3,5-dimethyl-1-(4-nitrosophenyl)pyrazole
CID 129109952
2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine
CID 139300479
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane
CID 177419478
4-(3,5-dimethylpyrazol-1-yl)-2-methoxypyridine;ethane
CID 144651616
N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 15989749
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125
4-(3,5-dimethylpyrazol-1-yl)-N-hydroxybenzeneamine oxide
CID 163118514
2-chloro-5-(3,5-dimethylpyrazol-1-yl)aniline
CID 82512795
3-(3,5-dimethylpyrazol-1-yl)-5-methylpyridazine
CID 106550824

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole (CID 39240351) is 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole is Cc1cc(C)cc(-n2nc(C)cc2C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole?
The InChIKey is GTFQUNRTWGUSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9-5-10(2)7-13(6-9)15-12(4)8-11(3)14-15/h5-8H,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole?
1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole has a molecular weight of 200.28 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 39240351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).