(7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine

C16H17F4N3 — CID 97346771

IUPAC(7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
SMILESFc1cccc(CN[C@@H]2CCCc3cn(CC(F)(F)F)nc32)c1
InChIInChI=1S/C16H17F4N3/c17-13-5-1-3-11(7-13)8-21-14-6-2-4-12-9-23(22-15(12)14)10-16(18,19)20/h1,3,5,7,9,14,21H,2,4,6,8,10H2/t14-/m1/s1
InChIKeyYGJDBTOLRARGIM-CQSZACIVSA-N
MW327.32 g/mol
LogP3.75
Rot. Bonds4

About (7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine

(7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine (PubChem CID 97346771) has the molecular formula C16H17F4N3 and a molecular weight of 327.32 g/mol. Its IUPAC name is (7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine.

Molecular Properties

Compound Name(7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
PubChem CID97346771
Molecular FormulaC16H17F4N3
Molecular Weight327.32 g/mol
Exact Mass327.14
IUPAC Name(7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
SMILESFc1cccc(CN[C@@H]2CCCc3cn(CC(F)(F)F)nc32)c1
InChIInChI=1S/C16H17F4N3/c17-13-5-1-3-11(7-13)8-21-14-6-2-4-12-9-23(22-15(12)14)10-16(18,19)20/h1,3,5,7,9,14,21H,2,4,6,8,10H2/t14-/m1/s1
InChIKeyYGJDBTOLRARGIM-CQSZACIVSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine with MolForge

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Related Compounds

2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide
CID 75475565
N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078877
(7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
CID 97346769
N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide
CID 75475685
2-[(7S)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 97346730
2-[(7R)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 97346729
2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide
CID 97346993
2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile
CID 97346523
6-[[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile
CID 97346522
2-[4-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752494
2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide
CID 97346977
3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]benzoic acid
CID 122032178

Frequently Asked Questions

What is the IUPAC name of (7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The IUPAC name of (7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine (CID 97346771) is (7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine.
What is the SMILES notation for (7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The canonical SMILES for (7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine is Fc1cccc(CN[C@@H]2CCCc3cn(CC(F)(F)F)nc32)c1.
What is the InChIKey of (7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The InChIKey is YGJDBTOLRARGIM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17F4N3/c17-13-5-1-3-11(7-13)8-21-14-6-2-4-12-9-23(22-15(12)14)10-16(18,19)20/h1,3,5,7,9,14,21H,2,4,6,8,10H2/t14-/m1/s1.
What are the key properties of (7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine?
(7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine has a molecular weight of 327.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine is sourced from PubChem (CID 97346771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).