1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

C15H16F3N3 — CID 103792573

IUPAC1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCc1cc(F)c(F)cc1F
InChIInChI=1S/C15H16F3N3/c1-21-15-4-2-3-14(10(15)8-20-21)19-7-9-5-12(17)13(18)6-11(9)16/h5-6,8,14,19H,2-4,7H2,1H3
InChIKeyAQISLDQAGHTQBP-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.00
Rot. Bonds3

About 1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 103792573) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID103792573
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCc1cc(F)c(F)cc1F
InChIInChI=1S/C15H16F3N3/c1-21-15-4-2-3-14(10(15)8-20-21)19-7-9-5-12(17)13(18)6-11(9)16/h5-6,8,14,19H,2-4,7H2,1H3
InChIKeyAQISLDQAGHTQBP-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluoro-4-thiophen-2-ylphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 56797290
4-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]benzene-1,2,3-triol
CID 103953173
4-methyl-2-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 63324763
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
N-(2-chloroprop-2-enyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 115890898
N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254555
(4S)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060058
(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060056
4-methoxy-2-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 43727317
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
1-methyl-N-(1,3-thiazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 55110101
2,6-dimethyl-4-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 43435407

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 103792573) is 1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2NCc1cc(F)c(F)cc1F.
What is the InChIKey of 1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is AQISLDQAGHTQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-21-15-4-2-3-14(10(15)8-20-21)19-7-9-5-12(17)13(18)6-11(9)16/h5-6,8,14,19H,2-4,7H2,1H3.
What are the key properties of 1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 295.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 103792573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).