1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine;2,2,2-trifluoroacetic acid

C20H26F3N3O5 — CID 118743265

IUPAC1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine;2,2,2-trifluoroacetic acid
SMILESCOCCn1cc2c(n1)C(CNCc1cccc(OC)c1)OCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N3O3.C2HF3O2/c1-22-9-7-21-13-15-6-8-24-17(18(15)20-21)12-19-11-14-4-3-5-16(10-14)23-2;3-2(4,5)1(6)7/h3-5,10,13,17,19H,6-9,11-12H2,1-2H3;(H,6,7)
InChIKeyBAISWWNQPJTKIJ-UHFFFAOYSA-N
MW445.44 g/mol
LogP2.58
Rot. Bonds8

About 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine;2,2,2-trifluoroacetic acid

1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine;2,2,2-trifluoroacetic acid (PubChem CID 118743265) has the molecular formula C20H26F3N3O5 and a molecular weight of 445.44 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine;2,2,2-trifluoroacetic acid
PubChem CID118743265
Molecular FormulaC20H26F3N3O5
Molecular Weight445.44 g/mol
Exact Mass445.18
IUPAC Name1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine;2,2,2-trifluoroacetic acid
SMILESCOCCn1cc2c(n1)C(CNCc1cccc(OC)c1)OCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N3O3.C2HF3O2/c1-22-9-7-21-13-15-6-8-24-17(18(15)20-21)12-19-11-14-4-3-5-16(10-14)23-2;3-2(4,5)1(6)7/h3-5,10,13,17,19H,6-9,11-12H2,1-2H3;(H,6,7)
InChIKeyBAISWWNQPJTKIJ-UHFFFAOYSA-N
XLogP2.58
TPSA94.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine;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 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine;2,2,2-trifluoroacetic acid (CID 118743265) is 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine;2,2,2-trifluoroacetic acid is COCCn1cc2c(n1)C(CNCc1cccc(OC)c1)OCC2.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is BAISWWNQPJTKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.C2HF3O2/c1-22-9-7-21-13-15-6-8-24-17(18(15)20-21)12-19-11-14-4-3-5-16(10-14)23-2;3-2(4,5)1(6)7/h3-5,10,13,17,19H,6-9,11-12H2,1-2H3;(H,6,7).
What are the key properties of 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine;2,2,2-trifluoroacetic acid?
1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 445.44 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-[(3-methoxyphenyl)methyl]methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).