1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine

C14H14F3N3 — CID 102942537

IUPAC1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1nn(-c2ccc(C(F)(F)F)cc2)c2c1CCCC2
InChIInChI=1S/C14H14F3N3/c15-14(16,17)9-5-7-10(8-6-9)20-12-4-2-1-3-11(12)13(18)19-20/h5-8H,1-4H2,(H2,18,19)
InChIKeyKPDMGJKVVODCOK-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.35
Rot. Bonds1

About 1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine

1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 102942537) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID102942537
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1nn(-c2ccc(C(F)(F)F)cc2)c2c1CCCC2
InChIInChI=1S/C14H14F3N3/c15-14(16,17)9-5-7-10(8-6-9)20-12-4-2-1-3-11(12)13(18)19-20/h5-8H,1-4H2,(H2,18,19)
InChIKeyKPDMGJKVVODCOK-UHFFFAOYSA-N
XLogP3.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-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

Related Compounds

1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
CID 122156936
1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 102942370
1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942361
1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 102942368
1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942902
[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanol
CID 24825810
1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 114261535
N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 3159357
1-(3-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942792
5-(trifluoromethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]aniline
CID 19627043
2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide
CID 91137888
2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetic acid
CID 50992931

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine (CID 102942537) is 1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine is Nc1nn(-c2ccc(C(F)(F)F)cc2)c2c1CCCC2.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is KPDMGJKVVODCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-14(16,17)9-5-7-10(8-6-9)20-12-4-2-1-3-11(12)13(18)19-20/h5-8H,1-4H2,(H2,18,19).
What are the key properties of 1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine?
1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 281.28 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 102942537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).