6-(4-chlorophenyl)-2-[1-(difluoromethyl)pyrazol-4-yl]-3-oxo-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyridazine-4-carboxamide

C18H13ClF5N5O3 — CID 155351324

About 6-(4-chlorophenyl)-2-[1-(difluoromethyl)pyrazol-4-yl]-3-oxo-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyridazine-4-carboxamide

6-(4-chlorophenyl)-2-[1-(difluoromethyl)pyrazol-4-yl]-3-oxo-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyridazine-4-carboxamide (PubChem CID 155351324) has the molecular formula C18H13ClF5N5O3 and a molecular weight of 477.78 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[1-(difluoromethyl)pyrazol-4-yl]-3-oxo-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyridazine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(4-chlorophenyl)-2-[1-(difluoromethyl)pyrazol-4-yl]-3-oxo-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyridazine-4-carboxamide
• PubChem CID: 155351324
• Molecular Formula: C18H13ClF5N5O3
• Molecular Weight: 477.78 g/mol
• Exact Mass: 477.06
• IUPAC Name: 6-(4-chlorophenyl)-2-[1-(difluoromethyl)pyrazol-4-yl]-3-oxo-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyridazine-4-carboxamide
• SMILES: O=C(N[C@H](CO)C(F)(F)F)c1cc(-c2ccc(Cl)cc2)nn(-c2cnn(C(F)F)c2)c1=O
• InChI: InChI=1S/C18H13ClF5N5O3/c19-10-3-1-9(2-4-10)13-5-12(15(31)26-14(8-30)18(22,23)24)16(32)29(27-13)11-6-25-28(7-11)17(20)21/h1-7,14,17,30H,8H2,(H,26,31)/t14-/m1/s1
• InChIKey: WLEJNJIIESNUSI-CQSZACIVSA-N
• XLogP: 2.80
• TPSA: 102.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.78
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[1-(difluoromethyl)pyrazol-4-yl]-3-oxo-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyridazine-4-carboxamide?

The IUPAC name of 6-(4-chlorophenyl)-2-[1-(difluoromethyl)pyrazol-4-yl]-3-oxo-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyridazine-4-carboxamide (CID 155351324) is 6-(4-chlorophenyl)-2-[1-(difluoromethyl)pyrazol-4-yl]-3-oxo-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyridazine-4-carboxamide.

What is the SMILES notation for 6-(4-chlorophenyl)-2-[1-(difluoromethyl)pyrazol-4-yl]-3-oxo-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyridazine-4-carboxamide?

The canonical SMILES for 6-(4-chlorophenyl)-2-[1-(difluoromethyl)pyrazol-4-yl]-3-oxo-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyridazine-4-carboxamide is O=C(N[C@H](CO)C(F)(F)F)c1cc(-c2ccc(Cl)cc2)nn(-c2cnn(C(F)F)c2)c1=O.

What is the InChIKey of 6-(4-chlorophenyl)-2-[1-(difluoromethyl)pyrazol-4-yl]-3-oxo-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyridazine-4-carboxamide?

The InChIKey is WLEJNJIIESNUSI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H13ClF5N5O3/c19-10-3-1-9(2-4-10)13-5-12(15(31)26-14(8-30)18(22,23)24)16(32)29(27-13)11-6-25-28(7-11)17(20)21/h1-7,14,17,30H,8H2,(H,26,31)/t14-/m1/s1.

What are the key properties of 6-(4-chlorophenyl)-2-[1-(difluoromethyl)pyrazol-4-yl]-3-oxo-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyridazine-4-carboxamide?

6-(4-chlorophenyl)-2-[1-(difluoromethyl)pyrazol-4-yl]-3-oxo-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyridazine-4-carboxamide has a molecular weight of 477.78 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chlorophenyl)-2-[1-(difluoromethyl)pyrazol-4-yl]-3-oxo-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 155351324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).