3-(4-ethylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole

C20H21F3N4 — CID 15117090

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 3-(4-ethylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole

3-(4-ethylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole (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 Name3-(4-ethylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole
PubChem CID15117090
Molecular FormulaC20H21F3N4
Molecular Weight374.41 g/mol
Exact Mass374.17
IUPAC Name3-(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
XLogP4.19
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole (CID 15117090) is 3-(4-ethylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole is CCN1CCN(c2nn(-c3ccc(C(F)(F)F)cc3)c3ccccc23)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole?
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 3-(4-ethylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole?
3-(4-ethylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole 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 3-(4-ethylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole is sourced from PubChem (CID 15117090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).