1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane

C16H24N2 — CID 91413155

IUPAC1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane
SMILESCC.Cc1ccccc1CCc1cn(C)nc1C
InChIInChI=1S/C14H18N2.C2H6/c1-11-6-4-5-7-13(11)8-9-14-10-16(3)15-12(14)2;1-2/h4-7,10H,8-9H2,1-3H3;1-2H3
InChIKeyNLFBHCJSDZSZNZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.85
Rot. Bonds3

About 1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane

1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane (PubChem CID 91413155) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane.

Molecular Properties

Compound Name1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane
PubChem CID91413155
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane
SMILESCC.Cc1ccccc1CCc1cn(C)nc1C
InChIInChI=1S/C14H18N2.C2H6/c1-11-6-4-5-7-13(11)8-9-14-10-16(3)15-12(14)2;1-2/h4-7,10H,8-9H2,1-3H3;1-2H3
InChIKeyNLFBHCJSDZSZNZ-UHFFFAOYSA-N
XLogP3.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763765
(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-6-methylaniline
CID 83092684
(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 83088818
ethane;methanamine;2-methyl-3-[2-(2-methylphenyl)ethyl]pyridine
CID 165410147
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylaniline
CID 113351725
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22771414
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylaniline
CID 83089565
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
4-bromo-1-methyl-3-[2-(2-methylphenyl)ethylsulfinylmethyl]pyrazole
CID 166263688
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120913021
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 112669565

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane?
The IUPAC name of 1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane (CID 91413155) is 1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane.
What is the SMILES notation for 1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane?
The canonical SMILES for 1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane is CC.Cc1ccccc1CCc1cn(C)nc1C.
What is the InChIKey of 1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane?
The InChIKey is NLFBHCJSDZSZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C2H6/c1-11-6-4-5-7-13(11)8-9-14-10-16(3)15-12(14)2;1-2/h4-7,10H,8-9H2,1-3H3;1-2H3.
What are the key properties of 1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane?
1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane has a molecular weight of 244.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[2-(2-methylphenyl)ethyl]pyrazole;ethane is sourced from PubChem (CID 91413155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).