1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide

C22H25ClN4O3 — CID 55862493

IUPAC1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H25ClN4O3/c1-3-11-24-21(28)15-26(12-4-2)22(29)18-14-19(20-6-5-13-30-20)27(25-18)17-9-7-16(23)8-10-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,24,28)
InChIKeyCDKHUZPBMKSOGF-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.16
Rot. Bonds9

About 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide

1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide (PubChem CID 55862493) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide
PubChem CID55862493
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H25ClN4O3/c1-3-11-24-21(28)15-26(12-4-2)22(29)18-14-19(20-6-5-13-30-20)27(25-18)17-9-7-16(23)8-10-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,24,28)
InChIKeyCDKHUZPBMKSOGF-UHFFFAOYSA-N
XLogP4.16
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide (CID 55862493) is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide is CCCNC(=O)CN(CCC)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide?
The InChIKey is CDKHUZPBMKSOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-3-11-24-21(28)15-26(12-4-2)22(29)18-14-19(20-6-5-13-30-20)27(25-18)17-9-7-16(23)8-10-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,24,28).
What are the key properties of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide?
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide has a molecular weight of 428.92 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 55862493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).