N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine

C15H12F3N3 — CID 171594927

IUPACN-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccc(CNc2n[nH]c3ccccc23)cc1
InChIInChI=1S/C15H12F3N3/c16-15(17,18)11-7-5-10(6-8-11)9-19-14-12-3-1-2-4-13(12)20-21-14/h1-8H,9H2,(H2,19,20,21)
InChIKeyTUHROURFNLPVIL-UHFFFAOYSA-N
MW291.28 g/mol
LogP4.19
Rot. Bonds3

About N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine

N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine (PubChem CID 171594927) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
PubChem CID171594927
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccc(CNc2n[nH]c3ccccc23)cc1
InChIInChI=1S/C15H12F3N3/c16-15(17,18)11-7-5-10(6-8-11)9-19-14-12-3-1-2-4-13(12)20-21-14/h1-8H,9H2,(H2,19,20,21)
InChIKeyTUHROURFNLPVIL-UHFFFAOYSA-N
XLogP4.19
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
CID 10363703
N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide
CID 155963071
N-(methoxymethyl)-1H-indazol-3-amine
CID 142778933
2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol
CID 142747576
7-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-benzothiazol-3-amine
CID 171594890
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627006
N-benzyl-5-chloro-1H-indazol-3-amine
CID 142275552
2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 46086055
N-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 3068044
3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 62881850
1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone
CID 170857532
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29031697

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine (CID 171594927) is N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine is FC(F)(F)c1ccc(CNc2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine?
The InChIKey is TUHROURFNLPVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c16-15(17,18)11-7-5-10(6-8-11)9-19-14-12-3-1-2-4-13(12)20-21-14/h1-8H,9H2,(H2,19,20,21).
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine?
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine has a molecular weight of 291.28 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine is sourced from PubChem (CID 171594927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).