1-[2-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one

C23H24ClF3N4O3S — CID 150750643

About 1-[2-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one

1-[2-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 150750643) has the molecular formula C23H24ClF3N4O3S and a molecular weight of 528.98 g/mol. Its IUPAC name is 1-[2-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: 1-[2-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one
• PubChem CID: 150750643
• Molecular Formula: C23H24ClF3N4O3S
• Molecular Weight: 528.98 g/mol
• Exact Mass: 528.12
• IUPAC Name: 1-[2-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one
• SMILES: Cc1cocc1C(=O)n1nc(C2C(C(F)(F)F)CN2C(=O)C(C)(C)C)cc1NCc1ccc(Cl)s1
• InChI: InChI=1S/C23H24ClF3N4O3S/c1-12-10-34-11-14(12)20(32)31-18(28-8-13-5-6-17(24)35-13)7-16(29-31)19-15(23(25,26)27)9-30(19)21(33)22(2,3)4/h5-7,10-11,15,19,28H,8-9H2,1-4H3
• InChIKey: JVUCCQODOYRLQI-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.98
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one?

The IUPAC name of 1-[2-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one (CID 150750643) is 1-[2-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one.

What is the SMILES notation for 1-[2-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one?

The canonical SMILES for 1-[2-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one is Cc1cocc1C(=O)n1nc(C2C(C(F)(F)F)CN2C(=O)C(C)(C)C)cc1NCc1ccc(Cl)s1.

What is the InChIKey of 1-[2-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one?

The InChIKey is JVUCCQODOYRLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N4O3S/c1-12-10-34-11-14(12)20(32)31-18(28-8-13-5-6-17(24)35-13)7-16(29-31)19-15(23(25,26)27)9-30(19)21(33)22(2,3)4/h5-7,10-11,15,19,28H,8-9H2,1-4H3.

What are the key properties of 1-[2-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one?

1-[2-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 528.98 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-methylfuran-3-carbonyl)pyrazol-3-yl]-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 150750643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).