2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylfuran-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)

C18H23F6N3O5 — CID 171321214

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylfuran-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCc1ccoc1CN(C)CCc1c(C)n[nH]c1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H21N3O.2C2HF3O2/c1-10-6-8-18-14(10)9-17(4)7-5-13-11(2)15-16-12(13)3;2*3-2(4,5)1(6)7/h6,8H,5,7,9H2,1-4H3,(H,15,16);2*(H,6,7)
InChIKeyQWGJDHGPHIWJSD-UHFFFAOYSA-N
MW475.39 g/mol
LogP3.87
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylfuran-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylfuran-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171321214) has the molecular formula C18H23F6N3O5 and a molecular weight of 475.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylfuran-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylfuran-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID171321214
Molecular FormulaC18H23F6N3O5
Molecular Weight475.39 g/mol
Exact Mass475.15
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylfuran-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCc1ccoc1CN(C)CCc1c(C)n[nH]c1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H21N3O.2C2HF3O2/c1-10-6-8-18-14(10)9-17(4)7-5-13-11(2)15-16-12(13)3;2*3-2(4,5)1(6)7/h6,8H,5,7,9H2,1-4H3,(H,15,16);2*(H,6,7)
InChIKeyQWGJDHGPHIWJSD-UHFFFAOYSA-N
XLogP3.87
TPSA119.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.39
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylfuran-2-yl)methyl]ethanamine;bis(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-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylfuran-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylfuran-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid) (CID 171321214) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylfuran-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylfuran-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylfuran-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid) is Cc1ccoc1CN(C)CCc1c(C)n[nH]c1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylfuran-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is QWGJDHGPHIWJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2C2HF3O2/c1-10-6-8-18-14(10)9-17(4)7-5-13-11(2)15-16-12(13)3;2*3-2(4,5)1(6)7/h6,8H,5,7,9H2,1-4H3,(H,15,16);2*(H,6,7).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylfuran-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylfuran-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 475.39 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methylfuran-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171321214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).