3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide

C23H20N4O3 — CID 46569851

IUPAC3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H20N4O3/c1-2-22(28)24-16-8-6-9-17(14-16)25-23(29)20-15-19(21-12-7-13-30-21)26-27(20)18-10-4-3-5-11-18/h3-15H,2H2,1H3,(H,24,28)(H,25,29)
InChIKeyJKNCJBOIBNMRTI-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.73
Rot. Bonds6

About 3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide

3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide (PubChem CID 46569851) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide
PubChem CID46569851
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H20N4O3/c1-2-22(28)24-16-8-6-9-17(14-16)25-23(29)20-15-19(21-12-7-13-30-21)26-27(20)18-10-4-3-5-11-18/h3-15H,2H2,1H3,(H,24,28)(H,25,29)
InChIKeyJKNCJBOIBNMRTI-UHFFFAOYSA-N
XLogP4.73
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55664409
3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 24586512
3-(furan-2-yl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxamide
CID 42157664
3-(furan-2-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 78890017
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)-1-phenylpyrazole-5-carboxamide
CID 46679794
3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide
CID 18228202
N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 771696
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55689940
3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
CID 3661667
3-(furan-2-yl)-1-(4-methylphenyl)-N-(1-phenylethyl)pyrazole-5-carboxamide
CID 3692522
[2-(butylamino)-2-oxoethyl] 3-(furan-2-yl)-1-phenylpyrazole-5-carboxylate
CID 55491371

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide (CID 46569851) is 3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide is CCC(=O)Nc1cccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1.
What is the InChIKey of 3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide?
The InChIKey is JKNCJBOIBNMRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-2-22(28)24-16-8-6-9-17(14-16)25-23(29)20-15-19(21-12-7-13-30-21)26-27(20)18-10-4-3-5-11-18/h3-15H,2H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide?
3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-phenyl-N-[3-(propanoylamino)phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 46569851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).