N-methyl-3-phenyl-3-[7-(trifluoromethyl)-1H-indazol-5-yl]propan-1-amine

C18H18F3N3 — CID 59831610

IUPACN-methyl-3-phenyl-3-[7-(trifluoromethyl)-1H-indazol-5-yl]propan-1-amine
SMILESCNCCC(c1ccccc1)c1cc(C(F)(F)F)c2[nH]ncc2c1
InChIInChI=1S/C18H18F3N3/c1-22-8-7-15(12-5-3-2-4-6-12)13-9-14-11-23-24-17(14)16(10-13)18(19,20)21/h2-6,9-11,15,22H,7-8H2,1H3,(H,23,24)
InChIKeyGWGUDEAFGGPPPD-UHFFFAOYSA-N
MW333.36 g/mol
LogP4.32
Rot. Bonds5

About N-methyl-3-phenyl-3-[7-(trifluoromethyl)-1H-indazol-5-yl]propan-1-amine

N-methyl-3-phenyl-3-[7-(trifluoromethyl)-1H-indazol-5-yl]propan-1-amine (PubChem CID 59831610) has the molecular formula C18H18F3N3 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-methyl-3-phenyl-3-[7-(trifluoromethyl)-1H-indazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenyl-3-[7-(trifluoromethyl)-1H-indazol-5-yl]propan-1-amine
PubChem CID59831610
Molecular FormulaC18H18F3N3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC NameN-methyl-3-phenyl-3-[7-(trifluoromethyl)-1H-indazol-5-yl]propan-1-amine
SMILESCNCCC(c1ccccc1)c1cc(C(F)(F)F)c2[nH]ncc2c1
InChIInChI=1S/C18H18F3N3/c1-22-8-7-15(12-5-3-2-4-6-12)13-9-14-11-23-24-17(14)16(10-13)18(19,20)21/h2-6,9-11,15,22H,7-8H2,1H3,(H,23,24)
InChIKeyGWGUDEAFGGPPPD-UHFFFAOYSA-N
XLogP4.32
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-3-[7-(trifluoromethyl)-1H-indazol-5-yl]propan-1-amine?
The IUPAC name of N-methyl-3-phenyl-3-[7-(trifluoromethyl)-1H-indazol-5-yl]propan-1-amine (CID 59831610) is N-methyl-3-phenyl-3-[7-(trifluoromethyl)-1H-indazol-5-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-phenyl-3-[7-(trifluoromethyl)-1H-indazol-5-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-phenyl-3-[7-(trifluoromethyl)-1H-indazol-5-yl]propan-1-amine is CNCCC(c1ccccc1)c1cc(C(F)(F)F)c2[nH]ncc2c1.
What is the InChIKey of N-methyl-3-phenyl-3-[7-(trifluoromethyl)-1H-indazol-5-yl]propan-1-amine?
The InChIKey is GWGUDEAFGGPPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3/c1-22-8-7-15(12-5-3-2-4-6-12)13-9-14-11-23-24-17(14)16(10-13)18(19,20)21/h2-6,9-11,15,22H,7-8H2,1H3,(H,23,24).
What are the key properties of N-methyl-3-phenyl-3-[7-(trifluoromethyl)-1H-indazol-5-yl]propan-1-amine?
N-methyl-3-phenyl-3-[7-(trifluoromethyl)-1H-indazol-5-yl]propan-1-amine has a molecular weight of 333.36 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-3-[7-(trifluoromethyl)-1H-indazol-5-yl]propan-1-amine is sourced from PubChem (CID 59831610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).