(3-chloro-2-fluorophenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone

C18H10ClFN2OS2 — CID 2739869

IUPAC(3-chloro-2-fluorophenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1F)n1nccc1-c1ccc(-c2cccs2)s1
InChIInChI=1S/C18H10ClFN2OS2/c19-12-4-1-3-11(17(12)20)18(23)22-13(8-9-21-22)14-6-7-16(25-14)15-5-2-10-24-15/h1-10H
InChIKeyMMKXPJLARQZJPD-UHFFFAOYSA-N
MW388.88 g/mol
LogP5.82
Rot. Bonds3

About (3-chloro-2-fluorophenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone

(3-chloro-2-fluorophenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone (PubChem CID 2739869) has the molecular formula C18H10ClFN2OS2 and a molecular weight of 388.88 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone
PubChem CID2739869
Molecular FormulaC18H10ClFN2OS2
Molecular Weight388.88 g/mol
Exact Mass387.99
IUPAC Name(3-chloro-2-fluorophenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1F)n1nccc1-c1ccc(-c2cccs2)s1
InChIInChI=1S/C18H10ClFN2OS2/c19-12-4-1-3-11(17(12)20)18(23)22-13(8-9-21-22)14-6-7-16(25-14)15-5-2-10-24-15/h1-10H
InChIKeyMMKXPJLARQZJPD-UHFFFAOYSA-N
XLogP5.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.88
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone (CID 2739869) is (3-chloro-2-fluorophenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone is O=C(c1cccc(Cl)c1F)n1nccc1-c1ccc(-c2cccs2)s1.
What is the InChIKey of (3-chloro-2-fluorophenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone?
The InChIKey is MMKXPJLARQZJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN2OS2/c19-12-4-1-3-11(17(12)20)18(23)22-13(8-9-21-22)14-6-7-16(25-14)15-5-2-10-24-15/h1-10H.
What are the key properties of (3-chloro-2-fluorophenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone?
(3-chloro-2-fluorophenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone has a molecular weight of 388.88 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone is sourced from PubChem (CID 2739869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).