N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid

C16H24F3N3O4 — CID 154886109

IUPACN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1nc(C)c(CCNC(=O)C2CCOC2)c1C.O=C(O)C(F)(F)F
InChIInChI=1S/C14H23N3O2.C2HF3O2/c1-4-17-11(3)13(10(2)16-17)5-7-15-14(18)12-6-8-19-9-12;3-2(4,5)1(6)7/h12H,4-9H2,1-3H3,(H,15,18);(H,6,7)
InChIKeyWOIPICQAMFIOTA-UHFFFAOYSA-N
MW379.38 g/mol
LogP1.85
Rot. Bonds5

About N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154886109) has the molecular formula C16H24F3N3O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154886109
Molecular FormulaC16H24F3N3O4
Molecular Weight379.38 g/mol
Exact Mass379.17
IUPAC NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1nc(C)c(CCNC(=O)C2CCOC2)c1C.O=C(O)C(F)(F)F
InChIInChI=1S/C14H23N3O2.C2HF3O2/c1-4-17-11(3)13(10(2)16-17)5-7-15-14(18)12-6-8-19-9-12;3-2(4,5)1(6)7/h12H,4-9H2,1-3H3,(H,15,18);(H,6,7)
InChIKeyWOIPICQAMFIOTA-UHFFFAOYSA-N
XLogP1.85
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid (CID 154886109) is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid is CCn1nc(C)c(CCNC(=O)C2CCOC2)c1C.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is WOIPICQAMFIOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.C2HF3O2/c1-4-17-11(3)13(10(2)16-17)5-7-15-14(18)12-6-8-19-9-12;3-2(4,5)1(6)7/h12H,4-9H2,1-3H3,(H,15,18);(H,6,7).
What are the key properties of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 379.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]oxolane-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154886109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).