1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone

C20H19F3N4O2 — CID 37358947

IUPAC1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)29-15-7-5-14(6-8-15)13-26-9-11-27(12-10-26)19(28)18-16-3-1-2-4-17(16)24-25-18/h1-8H,9-13H2,(H,24,25)
InChIKeyXBGXMFKLWTZSPW-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.42
Rot. Bonds4

About 1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone

1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 37358947) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID37358947
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)29-15-7-5-14(6-8-15)13-26-9-11-27(12-10-26)19(28)18-16-3-1-2-4-17(16)24-25-18/h1-8H,9-13H2,(H,24,25)
InChIKeyXBGXMFKLWTZSPW-UHFFFAOYSA-N
XLogP3.42
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

1H-indazol-3-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 9021232
1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 30951232
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 31332821
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 2474731
1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 60595450
quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 37358886
(3-phenyl-1,2-oxazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 55646382
(2-sulfanylidene-1H-pyridin-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 37358891
1H-indazol-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
CID 47834502
(2-pyridin-2-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 134346209
1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone (CID 37358947) is 1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone is O=C(c1n[nH]c2ccccc12)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is XBGXMFKLWTZSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)29-15-7-5-14(6-8-15)13-26-9-11-27(12-10-26)19(28)18-16-3-1-2-4-17(16)24-25-18/h1-8H,9-13H2,(H,24,25).
What are the key properties of 1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone?
1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 404.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 37358947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).