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

C10H14F3N3 — CID 64754304

IUPACN-ethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCCNc1n[nH]c2c1CC(C(F)(F)F)CC2
InChIInChI=1S/C10H14F3N3/c1-2-14-9-7-5-6(10(11,12)13)3-4-8(7)15-16-9/h6H,2-5H2,1H3,(H2,14,15,16)
InChIKeyVHSNGJHVVZVDOA-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.51
Rot. Bonds2

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

N-ethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 64754304) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is N-ethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-ethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
PubChem CID64754304
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC NameN-ethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCCNc1n[nH]c2c1CC(C(F)(F)F)CC2
InChIInChI=1S/C10H14F3N3/c1-2-14-9-7-5-6(10(11,12)13)3-4-8(7)15-16-9/h6H,2-5H2,1H3,(H2,14,15,16)
InChIKeyVHSNGJHVVZVDOA-UHFFFAOYSA-N
XLogP2.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The IUPAC name of N-ethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 64754304) is N-ethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine.
What is the SMILES notation for N-ethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The canonical SMILES for N-ethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is CCNc1n[nH]c2c1CC(C(F)(F)F)CC2.
What is the InChIKey of N-ethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is VHSNGJHVVZVDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-2-14-9-7-5-6(10(11,12)13)3-4-8(7)15-16-9/h6H,2-5H2,1H3,(H2,14,15,16).
What are the key properties of N-ethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine?
N-ethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 233.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 64754304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).