4-(3,3-dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole

C15H25F3N2 — CID 90167984

IUPAC4-(3,3-dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCCCC(c1c(C(F)(F)F)nn(C)c1C)C(C)(C)CC
InChIInChI=1S/C15H25F3N2/c1-7-9-11(14(4,5)8-2)12-10(3)20(6)19-13(12)15(16,17)18/h11H,7-9H2,1-6H3
InChIKeyYPUJOQSRFRHYDT-UHFFFAOYSA-N
MW290.37 g/mol
LogP5.07
Rot. Bonds5

About 4-(3,3-dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole

4-(3,3-dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole (PubChem CID 90167984) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-(3,3-dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(3,3-dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
PubChem CID90167984
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name4-(3,3-dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCCCC(c1c(C(F)(F)F)nn(C)c1C)C(C)(C)CC
InChIInChI=1S/C15H25F3N2/c1-7-9-11(14(4,5)8-2)12-10(3)20(6)19-13(12)15(16,17)18/h11H,7-9H2,1-6H3
InChIKeyYPUJOQSRFRHYDT-UHFFFAOYSA-N
XLogP5.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.37
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3,3-dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
1,4-Dimethyl-3,5-di-t-butylpyrazole
CID 145636
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)methanamine
CID 71757240
1,3,5-Trimethyl-4-propylpyrazole
CID 13792879
1,3,5-Trimethyl-4-propan-2-ylpyrazole
CID 20605572
4-Butyl-1,3,5-trimethylpyrazole
CID 127012036
Pyrazole, 5-(2-methyl-2,3-butadienyl)-1,3,4-trimethyl-
CID 140239
3-(1,1,2,2,3,3,3-Heptafluoropropyl)-1-methyl-4,5,6,7-tetrahydroindazole
CID 12031300
3-(1,1,2,2,3,3,3-Heptafluoropropyl)-2-methyl-4,5,6,7-tetrahydroindazole
CID 12031302
4-Fluoro-5-hexyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 14112686
1-(Difluoromethyl)-3,4,5-trimethylpyrazole
CID 21136569

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(3,3-dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole (CID 90167984) is 4-(3,3-dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(3,3-dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(3,3-dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole is CCCC(c1c(C(F)(F)F)nn(C)c1C)C(C)(C)CC.
What is the InChIKey of 4-(3,3-dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is YPUJOQSRFRHYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2/c1-7-9-11(14(4,5)8-2)12-10(3)20(6)19-13(12)15(16,17)18/h11H,7-9H2,1-6H3.
What are the key properties of 4-(3,3-dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
4-(3,3-dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 290.37 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylheptan-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90167984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).