1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine

C17H22FN3 — CID 82592475

IUPAC1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC(C)(C)n1nc(-c2ccc(F)cc2)c2c1CCCC2N
InChIInChI=1S/C17H22FN3/c1-17(2,3)21-14-6-4-5-13(19)15(14)16(20-21)11-7-9-12(18)10-8-11/h7-10,13H,4-6,19H2,1-3H3
InChIKeyIHSOEDPYHAZBNI-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.78
Rot. Bonds1

About 1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine

1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 82592475) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID82592475
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC(C)(C)n1nc(-c2ccc(F)cc2)c2c1CCCC2N
InChIInChI=1S/C17H22FN3/c1-17(2,3)21-14-6-4-5-13(19)15(14)16(20-21)11-7-9-12(18)10-8-11/h7-10,13H,4-6,19H2,1-3H3
InChIKeyIHSOEDPYHAZBNI-UHFFFAOYSA-N
XLogP3.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-tert-butyl-3-phenyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine
CID 82593416
(7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 175714245
3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 82592089
1-(2,4-difluorophenyl)-3-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 82592584
1-tert-butyl-3-(3-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 82590841
2-[5-amino-3-(4-fluorophenyl)-4-formylpyrazol-1-yl]-2-methylpropanoic acid
CID 82360426
1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 82592488
2-[3-(4-aminophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetonitrile
CID 82592040
1-cyclohexyl-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]ethanamine
CID 102970675
2-tert-butyl-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
CID 11150379
[2-(4-fluorophenyl)-6-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl] hydrogen carbonate
CID 67455041
3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 82592652

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 82592475) is 1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine is CC(C)(C)n1nc(-c2ccc(F)cc2)c2c1CCCC2N.
What is the InChIKey of 1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is IHSOEDPYHAZBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-17(2,3)21-14-6-4-5-13(19)15(14)16(20-21)11-7-9-12(18)10-8-11/h7-10,13H,4-6,19H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine?
1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 287.38 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 82592475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).