2,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole

C14H20N2 — CID 57091138

IUPAC2,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole
SMILESCC1=NN(C)C(c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C14H20N2/c1-9-6-10(2)14(11(3)7-9)13-8-12(4)15-16(13)5/h6-7,13H,8H2,1-5H3
InChIKeySVBDPEPXERKQCB-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.36
Rot. Bonds1

About 2,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole

2,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole (PubChem CID 57091138) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole
PubChem CID57091138
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole
SMILESCC1=NN(C)C(c2c(C)cc(C)cc2C)C1
InChIInChI=1S/C14H20N2/c1-9-6-10(2)14(11(3)7-9)13-8-12(4)15-16(13)5/h6-7,13H,8H2,1-5H3
InChIKeySVBDPEPXERKQCB-UHFFFAOYSA-N
XLogP3.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yl-5-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-amine
CID 79510443
1,3-bis[2,6-di(propan-2-yl)phenyl]-4-(2,4,6-trimethylphenyl)triazolidine
CID 173075150
3-(chloromethyl)-2,5-dimethyl-3,4-dihydropyrazole
CID 89160444
2-cyclopropyl-1-fluoro-3,5-dimethylbenzene
CID 165138654
2-[3-methyl-2-oxo-4-(2,4,6-trimethylphenyl)imidazolidin-1-yl]acetonitrile
CID 116982461
4-(2,4,6-trimethylphenyl)azetidin-2-one
CID 64664712
(2,4,6-trimethylphenyl)-(2,4,6-trimethylphenyl)phosphanylidenephosphane
CID 23413764
(2,4,6-trimethylphenyl)cyclododecane
CID 123823481
2-(2,4,6-trimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]pyridazine
CID 67835472
5,7-dimethyl-2,3-dihydro-1H-inden-1-ol
CID 22463171
1-methyl-3-(2,4,6-trimethylphenyl)piperazine
CID 82114107
(2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride
CID 171197280

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole?
The IUPAC name of 2,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole (CID 57091138) is 2,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole is CC1=NN(C)C(c2c(C)cc(C)cc2C)C1.
What is the InChIKey of 2,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole?
The InChIKey is SVBDPEPXERKQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-9-6-10(2)14(11(3)7-9)13-8-12(4)15-16(13)5/h6-7,13H,8H2,1-5H3.
What are the key properties of 2,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole?
2,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole has a molecular weight of 216.33 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 57091138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).