N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide;2,2,2-trifluoroacetic acid

C18H20F3N5O4 — CID 135910454

IUPACN-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CCN(C)C(=O)c1cc2[nH]c(=O)c3ccccc3n2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19N5O2.C2HF3O2/c1-19(2)8-9-20(3)16(23)12-10-14-17-15(22)11-6-4-5-7-13(11)21(14)18-12;3-2(4,5)1(6)7/h4-7,10H,8-9H2,1-3H3,(H,17,22);(H,6,7)
InChIKeyWMYHPZBBWTXFHD-UHFFFAOYSA-N
MW427.38 g/mol
LogP1.44
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide;2,2,2-trifluoroacetic acid

N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 135910454) has the molecular formula C18H20F3N5O4 and a molecular weight of 427.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID135910454
Molecular FormulaC18H20F3N5O4
Molecular Weight427.38 g/mol
Exact Mass427.15
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CCN(C)C(=O)c1cc2[nH]c(=O)c3ccccc3n2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19N5O2.C2HF3O2/c1-19(2)8-9-20(3)16(23)12-10-14-17-15(22)11-6-4-5-7-13(11)21(14)18-12;3-2(4,5)1(6)7/h4-7,10H,8-9H2,1-3H3,(H,17,22);(H,6,7)
InChIKeyWMYHPZBBWTXFHD-UHFFFAOYSA-N
XLogP1.44
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide;2,2,2-trifluoroacetic acid (CID 135910454) is N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide;2,2,2-trifluoroacetic acid is CN(C)CCN(C)C(=O)c1cc2[nH]c(=O)c3ccccc3n2n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is WMYHPZBBWTXFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2.C2HF3O2/c1-19(2)8-9-20(3)16(23)12-10-14-17-15(22)11-6-4-5-7-13(11)21(14)18-12;3-2(4,5)1(6)7/h4-7,10H,8-9H2,1-3H3,(H,17,22);(H,6,7).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 427.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 135910454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).