N-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine

C11H16F3N3 — CID 64754306

IUPACN-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCC(C)Nc1n[nH]c2c1CC(C(F)(F)F)CC2
InChIInChI=1S/C11H16F3N3/c1-6(2)15-10-8-5-7(11(12,13)14)3-4-9(8)16-17-10/h6-7H,3-5H2,1-2H3,(H2,15,16,17)
InChIKeyMOBYWCCFQGWXFA-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.90
Rot. Bonds2

About N-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine

N-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 64754306) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
PubChem CID64754306
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC NameN-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCC(C)Nc1n[nH]c2c1CC(C(F)(F)F)CC2
InChIInChI=1S/C11H16F3N3/c1-6(2)15-10-8-5-7(11(12,13)14)3-4-9(8)16-17-10/h6-7H,3-5H2,1-2H3,(H2,15,16,17)
InChIKeyMOBYWCCFQGWXFA-UHFFFAOYSA-N
XLogP2.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-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 N-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The IUPAC name of N-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 64754306) is N-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.
What is the SMILES notation for N-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The canonical SMILES for N-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is CC(C)Nc1n[nH]c2c1CC(C(F)(F)F)CC2.
What is the InChIKey of N-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is MOBYWCCFQGWXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-6(2)15-10-8-5-7(11(12,13)14)3-4-9(8)16-17-10/h6-7H,3-5H2,1-2H3,(H2,15,16,17).
What are the key properties of N-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
N-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 247.26 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 64754306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).