1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea

Name: 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₁₈F₃N₅O — CID 151196094

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea

SMILESNc1nn(-c2cccc(CNC(=O)Nc3cccc(C(F)(F)F)c3)c2)c2ccccc12

InChIInChI=1S/C22H18F3N5O/c23-22(24,25)15-6-4-7-16(12-15)28-21(31)27-13-14-5-3-8-17(11-14)30-19-10-2-1-9-18(19)20(26)29-30/h1-12H,13H2,(H2,26,29)(H2,27,28,31)

InChIKeyNHIISXDRMFGDLJ-UHFFFAOYSA-N

MW425.41 g/mol

LogP4.95

Rot. Bonds4

About 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 151196094) has the molecular formula C₂₂H₁₈F₃N₅O and a molecular weight of 425.41 g/mol. Its IUPAC name is 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name	1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID	151196094
Molecular Formula	C₂₂H₁₈F₃N₅O
Molecular Weight	425.41 g/mol
Exact Mass	425.15
IUPAC Name	1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILES	Nc1nn(-c2cccc(CNC(=O)Nc3cccc(C(F)(F)F)c3)c2)c2ccccc12
InChI	InChI=1S/C22H18F3N5O/c23-22(24,25)15-6-4-7-16(12-15)28-21(31)27-13-14-5-3-8-17(11-14)30-19-10-2-1-9-18(19)20(26)29-30/h1-12H,13H2,(H2,26,29)(H2,27,28,31)
InChIKey	NHIISXDRMFGDLJ-UHFFFAOYSA-N
XLogP	4.95
TPSA	84.97 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.41
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea?

The IUPAC name of 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 151196094) is 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea.

What is the SMILES notation for 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea?

The canonical SMILES for 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea is Nc1nn(-c2cccc(CNC(=O)Nc3cccc(C(F)(F)F)c3)c2)c2ccccc12.

What is the InChIKey of 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea?

The InChIKey is NHIISXDRMFGDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O/c23-22(24,25)15-6-4-7-16(12-15)28-21(31)27-13-14-5-3-8-17(11-14)30-19-10-2-1-9-18(19)20(26)29-30/h1-12H,13H2,(H2,26,29)(H2,27,28,31).

What are the key properties of 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea?

1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 425.41 g/mol, XLogP of 4.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 151196094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 151196094 — identifiers, structure, computed properties (public domain)

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