N-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine;bis(2,2,2-trifluoroacetic acid)

C18H28F6N4O5 — CID 154885938

IUPACN-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCCc1n[nH]c(CN(C)CCN2CCOCC2)c1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H26N4O.2C2HF3O2/c1-4-13-12(2)14(16-15-13)11-17(3)5-6-18-7-9-19-10-8-18;2*3-2(4,5)1(6)7/h4-11H2,1-3H3,(H,15,16);2*(H,6,7)
InChIKeyCIGPVFVFEHIXDI-UHFFFAOYSA-N
MW494.43 g/mol
LogP2.31
Rot. Bonds6

About N-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine;bis(2,2,2-trifluoroacetic acid)

N-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 154885938) has the molecular formula C18H28F6N4O5 and a molecular weight of 494.43 g/mol. Its IUPAC name is N-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID154885938
Molecular FormulaC18H28F6N4O5
Molecular Weight494.43 g/mol
Exact Mass494.20
IUPAC NameN-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCCc1n[nH]c(CN(C)CCN2CCOCC2)c1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H26N4O.2C2HF3O2/c1-4-13-12(2)14(16-15-13)11-17(3)5-6-18-7-9-19-10-8-18;2*3-2(4,5)1(6)7/h4-11H2,1-3H3,(H,15,16);2*(H,6,7)
InChIKeyCIGPVFVFEHIXDI-UHFFFAOYSA-N
XLogP2.31
TPSA118.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.43
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine;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 N-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine;bis(2,2,2-trifluoroacetic acid) (CID 154885938) is N-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine;bis(2,2,2-trifluoroacetic acid) is CCc1n[nH]c(CN(C)CCN2CCOCC2)c1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is CIGPVFVFEHIXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O.2C2HF3O2/c1-4-13-12(2)14(16-15-13)11-17(3)5-6-18-7-9-19-10-8-18;2*3-2(4,5)1(6)7/h4-11H2,1-3H3,(H,15,16);2*(H,6,7).
What are the key properties of N-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine;bis(2,2,2-trifluoroacetic acid)?
N-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 494.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 154885938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).