5-cyclopropyl-6-(trifluoromethyl)-1H-indazol-4-amine

C11H10F3N3 — CID 176974604

IUPAC5-cyclopropyl-6-(trifluoromethyl)-1H-indazol-4-amine
SMILESNc1c(C2CC2)c(C(F)(F)F)cc2[nH]ncc12
InChIInChI=1S/C11H10F3N3/c12-11(13,14)7-3-8-6(4-16-17-8)10(15)9(7)5-1-2-5/h3-5H,1-2,15H2,(H,16,17)
InChIKeyXIHZIFWVXHNBSU-UHFFFAOYSA-N
MW241.22 g/mol
LogP3.04
Rot. Bonds1

About 5-cyclopropyl-6-(trifluoromethyl)-1H-indazol-4-amine

5-cyclopropyl-6-(trifluoromethyl)-1H-indazol-4-amine (PubChem CID 176974604) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 5-cyclopropyl-6-(trifluoromethyl)-1H-indazol-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-6-(trifluoromethyl)-1H-indazol-4-amine
PubChem CID176974604
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name5-cyclopropyl-6-(trifluoromethyl)-1H-indazol-4-amine
SMILESNc1c(C2CC2)c(C(F)(F)F)cc2[nH]ncc12
InChIInChI=1S/C11H10F3N3/c12-11(13,14)7-3-8-6(4-16-17-8)10(15)9(7)5-1-2-5/h3-5H,1-2,15H2,(H,16,17)
InChIKeyXIHZIFWVXHNBSU-UHFFFAOYSA-N
XLogP3.04
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-cyclobutyl-4-(trifluoromethyl)-1H-pyrazole
CID 125456183
4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine
CID 171656655
4-fluoro-1H-indazol-6-amine
CID 24728151
4-cyclopropyl-5-methylsulfanyl-1H-indazole
CID 167157837
N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide
CID 137453579
2-(3-aminoanilino)-2-methyl-N-[4-(trifluoromethyl)-6H-pyrazolo[5,4-g][1,3]benzothiazol-2-yl]propanamide
CID 88980454
13-[4-(trifluoromethyl)phenyl]-6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-3(11),4(8),5,9-tetraene
CID 169279392
2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride
CID 23134645
N-hydroxy-5-[9-hydroxy-5-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]pyridine-2-carboxamide
CID 177299877
6-methyl-1H-pyrazolo[4,5-c]pyridin-4-amine
CID 69175478
methyl 4-amino-5-bromo-1H-indazole-6-carboxylate
CID 142345968
4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 121326636

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(trifluoromethyl)-1H-indazol-4-amine?
The IUPAC name of 5-cyclopropyl-6-(trifluoromethyl)-1H-indazol-4-amine (CID 176974604) is 5-cyclopropyl-6-(trifluoromethyl)-1H-indazol-4-amine.
What is the SMILES notation for 5-cyclopropyl-6-(trifluoromethyl)-1H-indazol-4-amine?
The canonical SMILES for 5-cyclopropyl-6-(trifluoromethyl)-1H-indazol-4-amine is Nc1c(C2CC2)c(C(F)(F)F)cc2[nH]ncc12.
What is the InChIKey of 5-cyclopropyl-6-(trifluoromethyl)-1H-indazol-4-amine?
The InChIKey is XIHZIFWVXHNBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)7-3-8-6(4-16-17-8)10(15)9(7)5-1-2-5/h3-5H,1-2,15H2,(H,16,17).
What are the key properties of 5-cyclopropyl-6-(trifluoromethyl)-1H-indazol-4-amine?
5-cyclopropyl-6-(trifluoromethyl)-1H-indazol-4-amine has a molecular weight of 241.22 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(trifluoromethyl)-1H-indazol-4-amine is sourced from PubChem (CID 176974604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).