6-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C16H15F3N4O — CID 71778479

IUPAC6-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)11-5-1-2-6-12(11)20-15(24)13-7-8-14(22-21-13)23-9-3-4-10-23/h1-2,5-8H,3-4,9-10H2,(H,20,24)
InChIKeyMSVMMKHZXOAYLY-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.35
Rot. Bonds3

About 6-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 71778479) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID71778479
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name6-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)11-5-1-2-6-12(11)20-15(24)13-7-8-14(22-21-13)23-9-3-4-10-23/h1-2,5-8H,3-4,9-10H2,(H,20,24)
InChIKeyMSVMMKHZXOAYLY-UHFFFAOYSA-N
XLogP3.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 71778479) is 6-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2CCCC2)nn1.
What is the InChIKey of 6-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is MSVMMKHZXOAYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c17-16(18,19)11-5-1-2-6-12(11)20-15(24)13-7-8-14(22-21-13)23-9-3-4-10-23/h1-2,5-8H,3-4,9-10H2,(H,20,24).
What are the key properties of 6-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 336.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 71778479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).