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

IUPAC1-[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
SMILESCc1cocc1C(=O)n1nc(C2C(C(F)(F)F)CN2C(=O)C(C)(C)C)cc1NCc1ccc(Cl)s1
InChIInChI=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
InChIKeyJVUCCQODOYRLQI-UHFFFAOYSA-N
MW528.98 g/mol
LogP5.91
Rot. Bonds5

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 Name1-[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 CID150750643
Molecular FormulaC23H24ClF3N4O3S
Molecular Weight528.98 g/mol
Exact Mass528.12
IUPAC Name1-[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
SMILESCc1cocc1C(=O)n1nc(C2C(C(F)(F)F)CN2C(=O)C(C)(C)C)cc1NCc1ccc(Cl)s1
InChIInChI=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
InChIKeyJVUCCQODOYRLQI-UHFFFAOYSA-N
XLogP5.91
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.98
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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).