2-(2H-indazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid

C19H24F3N5O2 — CID 154888482

IUPAC2-(2H-indazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid
SMILESCc1nn(C)c(C)c1CN(C)CCc1[nH]nc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5.C2HF3O2/c1-12-15(13(2)22(4)20-12)11-21(3)10-9-17-14-7-5-6-8-16(14)18-19-17;3-2(4,5)1(6)7/h5-8H,9-11H2,1-4H3,(H,18,19);(H,6,7)
InChIKeyDQMYOGMNRIKBLQ-UHFFFAOYSA-N
MW411.43 g/mol
LogP3.22
Rot. Bonds5

About 2-(2H-indazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid

2-(2H-indazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid (PubChem CID 154888482) has the molecular formula C19H24F3N5O2 and a molecular weight of 411.43 g/mol. Its IUPAC name is 2-(2H-indazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2H-indazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid
PubChem CID154888482
Molecular FormulaC19H24F3N5O2
Molecular Weight411.43 g/mol
Exact Mass411.19
IUPAC Name2-(2H-indazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid
SMILESCc1nn(C)c(C)c1CN(C)CCc1[nH]nc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5.C2HF3O2/c1-12-15(13(2)22(4)20-12)11-21(3)10-9-17-14-7-5-6-8-16(14)18-19-17;3-2(4,5)1(6)7/h5-8H,9-11H2,1-4H3,(H,18,19);(H,6,7)
InChIKeyDQMYOGMNRIKBLQ-UHFFFAOYSA-N
XLogP3.22
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2H-indazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid 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 2-(2H-indazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2H-indazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid (CID 154888482) is 2-(2H-indazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2H-indazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2H-indazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid is Cc1nn(C)c(C)c1CN(C)CCc1[nH]nc2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(2H-indazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is DQMYOGMNRIKBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5.C2HF3O2/c1-12-15(13(2)22(4)20-12)11-21(3)10-9-17-14-7-5-6-8-16(14)18-19-17;3-2(4,5)1(6)7/h5-8H,9-11H2,1-4H3,(H,18,19);(H,6,7).
What are the key properties of 2-(2H-indazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid?
2-(2H-indazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 411.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-indazol-3-yl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154888482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).