1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-carbonylamino)pyrazole-4-carboxamide

C23H17ClN4O5 — CID 2215632

IUPAC1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-carbonylamino)pyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1-c1ccccc1Cl)c1ccco1
InChIInChI=1S/C23H17ClN4O5/c24-16-4-1-2-5-17(16)28-21(27-23(30)19-6-3-9-31-19)15(13-25-28)22(29)26-14-7-8-18-20(12-14)33-11-10-32-18/h1-9,12-13H,10-11H2,(H,26,29)(H,27,30)
InChIKeyIMYHFTGXGIXBGR-UHFFFAOYSA-N
MW464.87 g/mol
LogP4.39
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-carbonylamino)pyrazole-4-carboxamide

1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-carbonylamino)pyrazole-4-carboxamide (PubChem CID 2215632) has the molecular formula C23H17ClN4O5 and a molecular weight of 464.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-carbonylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-carbonylamino)pyrazole-4-carboxamide
PubChem CID2215632
Molecular FormulaC23H17ClN4O5
Molecular Weight464.87 g/mol
Exact Mass464.09
IUPAC Name1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-carbonylamino)pyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1-c1ccccc1Cl)c1ccco1
InChIInChI=1S/C23H17ClN4O5/c24-16-4-1-2-5-17(16)28-21(27-23(30)19-6-3-9-31-19)15(13-25-28)22(29)26-14-7-8-18-20(12-14)33-11-10-32-18/h1-9,12-13H,10-11H2,(H,26,29)(H,27,30)
InChIKeyIMYHFTGXGIXBGR-UHFFFAOYSA-N
XLogP4.39
TPSA107.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.87
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-carbonylamino)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-carbonylamino)pyrazole-4-carboxamide (CID 2215632) is 1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-carbonylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-carbonylamino)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-carbonylamino)pyrazole-4-carboxamide is O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1-c1ccccc1Cl)c1ccco1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-carbonylamino)pyrazole-4-carboxamide?
The InChIKey is IMYHFTGXGIXBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O5/c24-16-4-1-2-5-17(16)28-21(27-23(30)19-6-3-9-31-19)15(13-25-28)22(29)26-14-7-8-18-20(12-14)33-11-10-32-18/h1-9,12-13H,10-11H2,(H,26,29)(H,27,30).
What are the key properties of 1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-carbonylamino)pyrazole-4-carboxamide?
1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-carbonylamino)pyrazole-4-carboxamide has a molecular weight of 464.87 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-carbonylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 2215632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).