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

C14H14F3N3 — CID 10540764

IUPACN-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESFC(F)(F)c1ccc(Nc2n[nH]c3c2CCCC3)cc1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)9-5-7-10(8-6-9)18-13-11-3-1-2-4-12(11)19-20-13/h5-8H,1-4H2,(H2,18,19,20)
InChIKeyZNKFKTUCCIQJGQ-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.05
Rot. Bonds2

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

N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 10540764) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-3-amine
PubChem CID10540764
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC NameN-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESFC(F)(F)c1ccc(Nc2n[nH]c3c2CCCC3)cc1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)9-5-7-10(8-6-9)18-13-11-3-1-2-4-12(11)19-20-13/h5-8H,1-4H2,(H2,18,19,20)
InChIKeyZNKFKTUCCIQJGQ-UHFFFAOYSA-N
XLogP4.05
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 10540764) is N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-3-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-3-amine is FC(F)(F)c1ccc(Nc2n[nH]c3c2CCCC3)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is ZNKFKTUCCIQJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-14(16,17)9-5-7-10(8-6-9)18-13-11-3-1-2-4-12(11)19-20-13/h5-8H,1-4H2,(H2,18,19,20).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-3-amine?
N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 281.28 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 10540764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).