(2-aminophenyl)-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-3-(furan-2-yl)pyrazol-1-yl]methanone

C19H14ClFN4O2S — CID 133081350

IUPAC(2-aminophenyl)-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-3-(furan-2-yl)pyrazol-1-yl]methanone
SMILESNc1ccccc1C(=O)n1nc(-c2ccco2)c(F)c1NCc1ccc(Cl)s1
InChIInChI=1S/C19H14ClFN4O2S/c20-15-8-7-11(28-15)10-23-18-16(21)17(14-6-3-9-27-14)24-25(18)19(26)12-4-1-2-5-13(12)22/h1-9,23H,10,22H2
InChIKeyWEXHQMMIVHZXTL-UHFFFAOYSA-N
MW416.87 g/mol
LogP4.88
Rot. Bonds5

About (2-aminophenyl)-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-3-(furan-2-yl)pyrazol-1-yl]methanone

(2-aminophenyl)-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-3-(furan-2-yl)pyrazol-1-yl]methanone (PubChem CID 133081350) has the molecular formula C19H14ClFN4O2S and a molecular weight of 416.87 g/mol. Its IUPAC name is (2-aminophenyl)-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-3-(furan-2-yl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-3-(furan-2-yl)pyrazol-1-yl]methanone
PubChem CID133081350
Molecular FormulaC19H14ClFN4O2S
Molecular Weight416.87 g/mol
Exact Mass416.05
IUPAC Name(2-aminophenyl)-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-3-(furan-2-yl)pyrazol-1-yl]methanone
SMILESNc1ccccc1C(=O)n1nc(-c2ccco2)c(F)c1NCc1ccc(Cl)s1
InChIInChI=1S/C19H14ClFN4O2S/c20-15-8-7-11(28-15)10-23-18-16(21)17(14-6-3-9-27-14)24-25(18)19(26)12-4-1-2-5-13(12)22/h1-9,23H,10,22H2
InChIKeyWEXHQMMIVHZXTL-UHFFFAOYSA-N
XLogP4.88
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-3-(furan-2-yl)pyrazol-1-yl]methanone?
The IUPAC name of (2-aminophenyl)-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-3-(furan-2-yl)pyrazol-1-yl]methanone (CID 133081350) is (2-aminophenyl)-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-3-(furan-2-yl)pyrazol-1-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-3-(furan-2-yl)pyrazol-1-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-3-(furan-2-yl)pyrazol-1-yl]methanone is Nc1ccccc1C(=O)n1nc(-c2ccco2)c(F)c1NCc1ccc(Cl)s1.
What is the InChIKey of (2-aminophenyl)-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-3-(furan-2-yl)pyrazol-1-yl]methanone?
The InChIKey is WEXHQMMIVHZXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O2S/c20-15-8-7-11(28-15)10-23-18-16(21)17(14-6-3-9-27-14)24-25(18)19(26)12-4-1-2-5-13(12)22/h1-9,23H,10,22H2.
What are the key properties of (2-aminophenyl)-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-3-(furan-2-yl)pyrazol-1-yl]methanone?
(2-aminophenyl)-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-3-(furan-2-yl)pyrazol-1-yl]methanone has a molecular weight of 416.87 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[5-[(5-chlorothiophen-2-yl)methylamino]-4-fluoro-3-(furan-2-yl)pyrazol-1-yl]methanone is sourced from PubChem (CID 133081350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).