5-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]-2H-indazole

C14H16F3N3 — CID 71190896

IUPAC5-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]-2H-indazole
SMILESCc1ccc2n[nH]c(C3CCNC(C(F)(F)F)C3)c2c1
InChIInChI=1S/C14H16F3N3/c1-8-2-3-11-10(6-8)13(20-19-11)9-4-5-18-12(7-9)14(15,16)17/h2-3,6,9,12,18H,4-5,7H2,1H3,(H,19,20)
InChIKeyBNHPLIGDDVSBLN-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.27
Rot. Bonds1

About 5-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]-2H-indazole

5-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]-2H-indazole (PubChem CID 71190896) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 5-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]-2H-indazole.

Molecular Properties

Compound Name5-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]-2H-indazole
PubChem CID71190896
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name5-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]-2H-indazole
SMILESCc1ccc2n[nH]c(C3CCNC(C(F)(F)F)C3)c2c1
InChIInChI=1S/C14H16F3N3/c1-8-2-3-11-10(6-8)13(20-19-11)9-4-5-18-12(7-9)14(15,16)17/h2-3,6,9,12,18H,4-5,7H2,1H3,(H,19,20)
InChIKeyBNHPLIGDDVSBLN-UHFFFAOYSA-N
XLogP3.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]-2H-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 5-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]-2H-indazole?
The IUPAC name of 5-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]-2H-indazole (CID 71190896) is 5-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]-2H-indazole.
What is the SMILES notation for 5-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]-2H-indazole?
The canonical SMILES for 5-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]-2H-indazole is Cc1ccc2n[nH]c(C3CCNC(C(F)(F)F)C3)c2c1.
What is the InChIKey of 5-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]-2H-indazole?
The InChIKey is BNHPLIGDDVSBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-8-2-3-11-10(6-8)13(20-19-11)9-4-5-18-12(7-9)14(15,16)17/h2-3,6,9,12,18H,4-5,7H2,1H3,(H,19,20).
What are the key properties of 5-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]-2H-indazole?
5-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]-2H-indazole has a molecular weight of 283.30 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(trifluoromethyl)piperidin-4-yl]-2H-indazole is sourced from PubChem (CID 71190896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).