N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H13F3N4O — CID 106896124

IUPACN-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnn1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)10(3-5-15-7-10)9(19)16-6-8-2-1-4-17-18-8/h1-2,4,15H,3,5-7H2,(H,16,19)
InChIKeyLPZGPYLTZDUWTG-UHFFFAOYSA-N
MW274.25 g/mol
LogP0.63
Rot. Bonds3

About N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106896124) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106896124
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC NameN-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnn1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)10(3-5-15-7-10)9(19)16-6-8-2-1-4-17-18-8/h1-2,4,15H,3,5-7H2,(H,16,19)
InChIKeyLPZGPYLTZDUWTG-UHFFFAOYSA-N
XLogP0.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106896124) is N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCc1cccnn1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is LPZGPYLTZDUWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)10(3-5-15-7-10)9(19)16-6-8-2-1-4-17-18-8/h1-2,4,15H,3,5-7H2,(H,16,19).
What are the key properties of N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 274.25 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106896124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).