ethane;3-methyl-1-(4-methylphenyl)pyrazole

C15H24N2 — CID 123320873

IUPACethane;3-methyl-1-(4-methylphenyl)pyrazole
SMILESCC.CC.Cc1ccc(-n2ccc(C)n2)cc1
InChIInChI=1S/C11H12N2.2C2H6/c1-9-3-5-11(6-4-9)13-8-7-10(2)12-13;2*1-2/h3-8H,1-2H3;2*1-2H3
InChIKeyPTHDDBAEADUEPF-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.54
Rot. Bonds1

About ethane;3-methyl-1-(4-methylphenyl)pyrazole

ethane;3-methyl-1-(4-methylphenyl)pyrazole (PubChem CID 123320873) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is ethane;3-methyl-1-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Nameethane;3-methyl-1-(4-methylphenyl)pyrazole
PubChem CID123320873
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Nameethane;3-methyl-1-(4-methylphenyl)pyrazole
SMILESCC.CC.Cc1ccc(-n2ccc(C)n2)cc1
InChIInChI=1S/C11H12N2.2C2H6/c1-9-3-5-11(6-4-9)13-8-7-10(2)12-13;2*1-2/h3-8H,1-2H3;2*1-2H3
InChIKeyPTHDDBAEADUEPF-UHFFFAOYSA-N
XLogP4.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-methyl-1-phenylpyrazole
CID 91357840
1-(4-tert-butylphenyl)-3-methylpyrazole
CID 155445813
1,3-bis(4-methylphenyl)pyrazole
CID 163429464
1-(4-methylphenyl)pyrazole-3-carbaldehyde
CID 13432477
[4-(3-methylpyrazol-1-yl)phenyl]methanamine
CID 19627295
1-[4-(chloromethyl)phenyl]-3-methylpyrazole
CID 62488293
1-(3,4-dimethylphenyl)-3-methylpyrazole
CID 90368021
(1S)-1-[4-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 63369256
3-methyl-1-(4-methylsulfonylphenyl)pyrazole
CID 90328454
3-methyl-1-(4-methylphenyl)pyridazin-4-one
CID 66489916
1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 66015733
5-(3-methylpyrazol-1-yl)pyridin-2-amine
CID 66521435

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-(4-methylphenyl)pyrazole?
The IUPAC name of ethane;3-methyl-1-(4-methylphenyl)pyrazole (CID 123320873) is ethane;3-methyl-1-(4-methylphenyl)pyrazole.
What is the SMILES notation for ethane;3-methyl-1-(4-methylphenyl)pyrazole?
The canonical SMILES for ethane;3-methyl-1-(4-methylphenyl)pyrazole is CC.CC.Cc1ccc(-n2ccc(C)n2)cc1.
What is the InChIKey of ethane;3-methyl-1-(4-methylphenyl)pyrazole?
The InChIKey is PTHDDBAEADUEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.2C2H6/c1-9-3-5-11(6-4-9)13-8-7-10(2)12-13;2*1-2/h3-8H,1-2H3;2*1-2H3.
What are the key properties of ethane;3-methyl-1-(4-methylphenyl)pyrazole?
ethane;3-methyl-1-(4-methylphenyl)pyrazole has a molecular weight of 232.37 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-(4-methylphenyl)pyrazole is sourced from PubChem (CID 123320873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).