1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole

C15H21F3N4 — CID 178092715

IUPAC1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole
SMILESCc1cc(C(C)(C)CCc2cc(C(F)(F)F)nn2C)nn1C
InChIInChI=1S/C15H21F3N4/c1-10-8-12(19-21(10)4)14(2,3)7-6-11-9-13(15(16,17)18)20-22(11)5/h8-9H,6-7H2,1-5H3
InChIKeyQHPKUGCEEDBPIF-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.39
Rot. Bonds4

About 1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole

1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole (PubChem CID 178092715) has the molecular formula C15H21F3N4 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole.

Molecular Properties

Compound Name1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole
PubChem CID178092715
Molecular FormulaC15H21F3N4
Molecular Weight314.36 g/mol
Exact Mass314.17
IUPAC Name1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole
SMILESCc1cc(C(C)(C)CCc2cc(C(F)(F)F)nn2C)nn1C
InChIInChI=1S/C15H21F3N4/c1-10-8-12(19-21(10)4)14(2,3)7-6-11-9-13(15(16,17)18)20-22(11)5/h8-9H,6-7H2,1-5H3
InChIKeyQHPKUGCEEDBPIF-UHFFFAOYSA-N
XLogP3.39
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]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

1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
CID 122166754
2-chloro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide
CID 166407820
1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126967785
3,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline
CID 19626174
1,3,5-trimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
CID 22207674
1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine
CID 19625585
1-methyl-5-methylsulfonyl-3-(trifluoromethyl)pyrazole
CID 59356398
4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butan-1-amine
CID 139944590
N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine
CID 122169256
5-(chloromethyl)-1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazole
CID 121210625
1-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylmethanamine
CID 121210709
1,5-diethyl-3-(trifluoromethyl)pyrazole
CID 88973141

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole?
The IUPAC name of 1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole (CID 178092715) is 1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole.
What is the SMILES notation for 1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole?
The canonical SMILES for 1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole is Cc1cc(C(C)(C)CCc2cc(C(F)(F)F)nn2C)nn1C.
What is the InChIKey of 1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole?
The InChIKey is QHPKUGCEEDBPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4/c1-10-8-12(19-21(10)4)14(2,3)7-6-11-9-13(15(16,17)18)20-22(11)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole?
1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole has a molecular weight of 314.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-[2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]butan-2-yl]pyrazole is sourced from PubChem (CID 178092715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).