3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane

C15H22N2 — CID 144748277

IUPAC3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane
SMILESCC.Cc1ccc(Cn2nc(C)cc2C)cc1
InChIInChI=1S/C13H16N2.C2H6/c1-10-4-6-13(7-5-10)9-15-12(3)8-11(2)14-15;1-2/h4-8H,9H2,1-3H3;1-2H3
InChIKeyODKGFJXPYKAUMG-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.88
Rot. Bonds2

About 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane

3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane (PubChem CID 144748277) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane.

Molecular Properties

Compound Name3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane
PubChem CID144748277
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane
SMILESCC.Cc1ccc(Cn2nc(C)cc2C)cc1
InChIInChI=1S/C13H16N2.C2H6/c1-10-4-6-13(7-5-10)9-15-12(3)8-11(2)14-15;1-2/h4-8H,9H2,1-3H3;1-2H3
InChIKeyODKGFJXPYKAUMG-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 45123702
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[5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl]methanamine
CID 83534323
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094
1-(furan-3-ylmethyl)-3,5-dimethylpyrazole
CID 83183212
[2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]phenyl]methanamine
CID 16792269
2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 62471489
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22205109
(E)-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-enoic acid
CID 109375502
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 48980515
5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid
CID 65339133
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CID 49013956

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane?
The IUPAC name of 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane (CID 144748277) is 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane.
What is the SMILES notation for 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane?
The canonical SMILES for 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane is CC.Cc1ccc(Cn2nc(C)cc2C)cc1.
What is the InChIKey of 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane?
The InChIKey is ODKGFJXPYKAUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C2H6/c1-10-4-6-13(7-5-10)9-15-12(3)8-11(2)14-15;1-2/h4-8H,9H2,1-3H3;1-2H3.
What are the key properties of 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane?
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane has a molecular weight of 230.35 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane is sourced from PubChem (CID 144748277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).