[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone

C15H8Cl2N2O4 — CID 4804078

IUPAC[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cnn(C(=O)c2ccco2)c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H8Cl2N2O4/c16-9-4-10(14(21)11(17)5-9)13(20)8-6-18-19(7-8)15(22)12-2-1-3-23-12/h1-7,21H
InChIKeyGIANCUPCBFAPAV-UHFFFAOYSA-N
MW351.15 g/mol
LogP3.41
Rot. Bonds3

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

[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone (PubChem CID 4804078) has the molecular formula C15H8Cl2N2O4 and a molecular weight of 351.15 g/mol. Its IUPAC name is [4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone
PubChem CID4804078
Molecular FormulaC15H8Cl2N2O4
Molecular Weight351.15 g/mol
Exact Mass349.99
IUPAC Name[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cnn(C(=O)c2ccco2)c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H8Cl2N2O4/c16-9-4-10(14(21)11(17)5-9)13(20)8-6-18-19(7-8)15(22)12-2-1-3-23-12/h1-7,21H
InChIKeyGIANCUPCBFAPAV-UHFFFAOYSA-N
XLogP3.41
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone (CID 4804078) is [4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone is O=C(c1cnn(C(=O)c2ccco2)c1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of [4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone?
The InChIKey is GIANCUPCBFAPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O4/c16-9-4-10(14(21)11(17)5-9)13(20)8-6-18-19(7-8)15(22)12-2-1-3-23-12/h1-7,21H.
What are the key properties of [4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone?
[4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone has a molecular weight of 351.15 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichloro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 4804078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).