N-cyclopentyl-1-methyl-6-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridazine-3-carboxamide

C17H20F3N5O2 — CID 121020218

IUPACN-cyclopentyl-1-methyl-6-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)N(CCn2ccc(C(F)(F)F)n2)C2CCCC2)ccc1=O
InChIInChI=1S/C17H20F3N5O2/c1-23-15(26)7-6-13(21-23)16(27)25(12-4-2-3-5-12)11-10-24-9-8-14(22-24)17(18,19)20/h6-9,12H,2-5,10-11H2,1H3
InChIKeyLBIJSXUVIJFICM-UHFFFAOYSA-N
MW383.37 g/mol
LogP2.08
Rot. Bonds5

About N-cyclopentyl-1-methyl-6-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridazine-3-carboxamide

N-cyclopentyl-1-methyl-6-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridazine-3-carboxamide (PubChem CID 121020218) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-cyclopentyl-1-methyl-6-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-methyl-6-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridazine-3-carboxamide
PubChem CID121020218
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC NameN-cyclopentyl-1-methyl-6-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)N(CCn2ccc(C(F)(F)F)n2)C2CCCC2)ccc1=O
InChIInChI=1S/C17H20F3N5O2/c1-23-15(26)7-6-13(21-23)16(27)25(12-4-2-3-5-12)11-10-24-9-8-14(22-24)17(18,19)20/h6-9,12H,2-5,10-11H2,1H3
InChIKeyLBIJSXUVIJFICM-UHFFFAOYSA-N
XLogP2.08
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-methyl-6-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-methyl-6-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridazine-3-carboxamide (CID 121020218) is N-cyclopentyl-1-methyl-6-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-methyl-6-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-methyl-6-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridazine-3-carboxamide is Cn1nc(C(=O)N(CCn2ccc(C(F)(F)F)n2)C2CCCC2)ccc1=O.
What is the InChIKey of N-cyclopentyl-1-methyl-6-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridazine-3-carboxamide?
The InChIKey is LBIJSXUVIJFICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-23-15(26)7-6-13(21-23)16(27)25(12-4-2-3-5-12)11-10-24-9-8-14(22-24)17(18,19)20/h6-9,12H,2-5,10-11H2,1H3.
What are the key properties of N-cyclopentyl-1-methyl-6-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridazine-3-carboxamide?
N-cyclopentyl-1-methyl-6-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridazine-3-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-methyl-6-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 121020218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).