(2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone

C20H10Cl2F2N2O2 — CID 10273546

IUPAC(2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)n1ccc(-c2ccc(-c3ccc(F)cc3F)o2)n1
InChIInChI=1S/C20H10Cl2F2N2O2/c21-11-1-3-13(15(22)9-11)20(27)26-8-7-17(25-26)19-6-5-18(28-19)14-4-2-12(23)10-16(14)24/h1-10H
InChIKeyXNSRUBXOCUNFBQ-UHFFFAOYSA-N
MW419.21 g/mol
LogP6.08
Rot. Bonds3

About (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone

(2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone (PubChem CID 10273546) has the molecular formula C20H10Cl2F2N2O2 and a molecular weight of 419.21 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone
PubChem CID10273546
Molecular FormulaC20H10Cl2F2N2O2
Molecular Weight419.21 g/mol
Exact Mass418.01
IUPAC Name(2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)n1ccc(-c2ccc(-c3ccc(F)cc3F)o2)n1
InChIInChI=1S/C20H10Cl2F2N2O2/c21-11-1-3-13(15(22)9-11)20(27)26-8-7-17(25-26)19-6-5-18(28-19)14-4-2-12(23)10-16(14)24/h1-10H
InChIKeyXNSRUBXOCUNFBQ-UHFFFAOYSA-N
XLogP6.08
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.21
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone (CID 10273546) is (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone is O=C(c1ccc(Cl)cc1Cl)n1ccc(-c2ccc(-c3ccc(F)cc3F)o2)n1.
What is the InChIKey of (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone?
The InChIKey is XNSRUBXOCUNFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2F2N2O2/c21-11-1-3-13(15(22)9-11)20(27)26-8-7-17(25-26)19-6-5-18(28-19)14-4-2-12(23)10-16(14)24/h1-10H.
What are the key properties of (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone?
(2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone has a molecular weight of 419.21 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[3-[5-(2,4-difluorophenyl)furan-2-yl]pyrazol-1-yl]methanone is sourced from PubChem (CID 10273546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).