N-ethyl-N-methyl-3-(1H-pyrazol-5-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid

C17H17F3N4O3 — CID 155838221

IUPACN-ethyl-N-methyl-3-(1H-pyrazol-5-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(C)C(=O)c1cc(-c2ccn[nH]2)n2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C15H16N4O.C2HF3O2/c1-3-18(2)15(20)11-10-14(12-7-8-16-17-12)19-9-5-4-6-13(11)19;3-2(4,5)1(6)7/h4-10H,3H2,1-2H3,(H,16,17);(H,6,7)
InChIKeyNKGIWBXBCGQOBR-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.05
Rot. Bonds3

About N-ethyl-N-methyl-3-(1H-pyrazol-5-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid

N-ethyl-N-methyl-3-(1H-pyrazol-5-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155838221) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-(1H-pyrazol-5-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-(1H-pyrazol-5-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155838221
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC NameN-ethyl-N-methyl-3-(1H-pyrazol-5-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(C)C(=O)c1cc(-c2ccn[nH]2)n2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C15H16N4O.C2HF3O2/c1-3-18(2)15(20)11-10-14(12-7-8-16-17-12)19-9-5-4-6-13(11)19;3-2(4,5)1(6)7/h4-10H,3H2,1-2H3,(H,16,17);(H,6,7)
InChIKeyNKGIWBXBCGQOBR-UHFFFAOYSA-N
XLogP3.05
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-(1H-pyrazol-5-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-ethyl-N-methyl-3-(1H-pyrazol-5-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155838221) is N-ethyl-N-methyl-3-(1H-pyrazol-5-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-ethyl-N-methyl-3-(1H-pyrazol-5-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-ethyl-N-methyl-3-(1H-pyrazol-5-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid is CCN(C)C(=O)c1cc(-c2ccn[nH]2)n2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of N-ethyl-N-methyl-3-(1H-pyrazol-5-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NKGIWBXBCGQOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O.C2HF3O2/c1-3-18(2)15(20)11-10-14(12-7-8-16-17-12)19-9-5-4-6-13(11)19;3-2(4,5)1(6)7/h4-10H,3H2,1-2H3,(H,16,17);(H,6,7).
What are the key properties of N-ethyl-N-methyl-3-(1H-pyrazol-5-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?
N-ethyl-N-methyl-3-(1H-pyrazol-5-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 382.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-(1H-pyrazol-5-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155838221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).