4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine

C14H20F3N3 — CID 171789309

IUPAC4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESCC1(C)C=C(c2c(N)n[nH]c2C(F)(F)F)CC(C)(C)C1
InChIInChI=1S/C14H20F3N3/c1-12(2)5-8(6-13(3,4)7-12)9-10(14(15,16)17)19-20-11(9)18/h5H,6-7H2,1-4H3,(H3,18,19,20)
InChIKeyVLXBVXVMLLRHGA-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.24
Rot. Bonds1

About 4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine

4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine (PubChem CID 171789309) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
PubChem CID171789309
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESCC1(C)C=C(c2c(N)n[nH]c2C(F)(F)F)CC(C)(C)C1
InChIInChI=1S/C14H20F3N3/c1-12(2)5-8(6-13(3,4)7-12)9-10(14(15,16)17)19-20-11(9)18/h5H,6-7H2,1-4H3,(H3,18,19,20)
InChIKeyVLXBVXVMLLRHGA-UHFFFAOYSA-N
XLogP4.24
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine (CID 171789309) is 4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine is CC1(C)C=C(c2c(N)n[nH]c2C(F)(F)F)CC(C)(C)C1.
What is the InChIKey of 4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is VLXBVXVMLLRHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-12(2)5-8(6-13(3,4)7-12)9-10(14(15,16)17)19-20-11(9)18/h5H,6-7H2,1-4H3,(H3,18,19,20).
What are the key properties of 4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine?
4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 287.33 g/mol, XLogP of 4.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,5,5-tetramethylcyclohexen-1-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 171789309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).