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

C19H19F3N4 — CID 15117087

IUPAC3-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole
SMILESCN1CCN(c2nn(-c3ccc(C(F)(F)F)cc3)c3ccccc23)CC1
InChIInChI=1S/C19H19F3N4/c1-24-10-12-25(13-11-24)18-16-4-2-3-5-17(16)26(23-18)15-8-6-14(7-9-15)19(20,21)22/h2-9H,10-13H2,1H3
InChIKeyZKSKEKOYXRDJCV-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.80
Rot. Bonds2

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

3-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole (PubChem CID 15117087) has the molecular formula C19H19F3N4 and a molecular weight of 360.38 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole
PubChem CID15117087
Molecular FormulaC19H19F3N4
Molecular Weight360.38 g/mol
Exact Mass360.16
IUPAC Name3-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole
SMILESCN1CCN(c2nn(-c3ccc(C(F)(F)F)cc3)c3ccccc23)CC1
InChIInChI=1S/C19H19F3N4/c1-24-10-12-25(13-11-24)18-16-4-2-3-5-17(16)26(23-18)15-8-6-14(7-9-15)19(20,21)22/h2-9H,10-13H2,1H3
InChIKeyZKSKEKOYXRDJCV-UHFFFAOYSA-N
XLogP3.80
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole (CID 15117087) is 3-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole is CN1CCN(c2nn(-c3ccc(C(F)(F)F)cc3)c3ccccc23)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole?
The InChIKey is ZKSKEKOYXRDJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4/c1-24-10-12-25(13-11-24)18-16-4-2-3-5-17(16)26(23-18)15-8-6-14(7-9-15)19(20,21)22/h2-9H,10-13H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole?
3-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole has a molecular weight of 360.38 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]indazole is sourced from PubChem (CID 15117087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).