ADMHWUORXYBEMA-UHFFFAOYSA-N

Name: ADMHWUORXYBEMA-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₂₁F₃N₄ — CID 15117090

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

IUPAC3-(4-ethylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole

SMILESCCN1CCN(c2nn(-c3ccc(C(F)(F)F)cc3)c3ccccc23)CC1

InChIInChI=1S/C20H21F3N4/c1-2-25-11-13-26(14-12-25)19-17-5-3-4-6-18(17)27(24-19)16-9-7-15(8-10-16)20(21,22)23/h3-10H,2,11-14H2,1H3

InChIKeyADMHWUORXYBEMA-UHFFFAOYSA-N

MW374.41 g/mol

LogP4.19

Rot. Bonds3

About ADMHWUORXYBEMA-UHFFFAOYSA-N

ADMHWUORXYBEMA-UHFFFAOYSA-N (PubChem CID 15117090) has the molecular formula C₂₀H₂₁F₃N₄ and a molecular weight of 374.41 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole.

Molecular Properties

Compound Name	ADMHWUORXYBEMA-UHFFFAOYSA-N
PubChem CID	15117090
Molecular Formula	C₂₀H₂₁F₃N₄
Molecular Weight	374.41 g/mol
Exact Mass	374.17
IUPAC Name	3-(4-ethylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole
SMILES	CCN1CCN(c2nn(-c3ccc(C(F)(F)F)cc3)c3ccccc23)CC1
InChI	InChI=1S/C20H21F3N4/c1-2-25-11-13-26(14-12-25)19-17-5-3-4-6-18(17)27(24-19)16-9-7-15(8-10-16)20(21,22)23/h3-10H,2,11-14H2,1H3
InChIKey	ADMHWUORXYBEMA-UHFFFAOYSA-N
XLogP	4.19
TPSA	24.30 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.41
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ADMHWUORXYBEMA-UHFFFAOYSA-N?

The IUPAC name of ADMHWUORXYBEMA-UHFFFAOYSA-N (CID 15117090) is 3-(4-ethylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole.

What is the SMILES notation for ADMHWUORXYBEMA-UHFFFAOYSA-N?

The canonical SMILES for ADMHWUORXYBEMA-UHFFFAOYSA-N is CCN1CCN(c2nn(-c3ccc(C(F)(F)F)cc3)c3ccccc23)CC1.

What is the InChIKey of ADMHWUORXYBEMA-UHFFFAOYSA-N?

The InChIKey is ADMHWUORXYBEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4/c1-2-25-11-13-26(14-12-25)19-17-5-3-4-6-18(17)27(24-19)16-9-7-15(8-10-16)20(21,22)23/h3-10H,2,11-14H2,1H3.

What are the key properties of ADMHWUORXYBEMA-UHFFFAOYSA-N?

ADMHWUORXYBEMA-UHFFFAOYSA-N has a molecular weight of 374.41 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ADMHWUORXYBEMA-UHFFFAOYSA-N is sourced from PubChem (CID 15117090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 15117090 — identifiers, structure, computed properties (public domain)

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