3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide

C21H17N5O4 — CID 5041268

IUPAC3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H17N5O4/c27-21(23-11-9-15-5-1-2-10-22-15)19-14-18(20-8-4-12-30-20)24-25(19)16-6-3-7-17(13-16)26(28)29/h1-8,10,12-14H,9,11H2,(H,23,27)
InChIKeyZDFSPDKNHXFPKG-UHFFFAOYSA-N
MW403.40 g/mol
LogP3.41
Rot. Bonds7

About 3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide

3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide (PubChem CID 5041268) has the molecular formula C21H17N5O4 and a molecular weight of 403.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
PubChem CID5041268
Molecular FormulaC21H17N5O4
Molecular Weight403.40 g/mol
Exact Mass403.13
IUPAC Name3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
SMILESO=C(NCCc1ccccn1)c1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H17N5O4/c27-21(23-11-9-15-5-1-2-10-22-15)19-14-18(20-8-4-12-30-20)24-25(19)16-6-3-7-17(13-16)26(28)29/h1-8,10,12-14H,9,11H2,(H,23,27)
InChIKeyZDFSPDKNHXFPKG-UHFFFAOYSA-N
XLogP3.41
TPSA116.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 1053520
3-(furan-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 6961782
N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 1053894
N-benzyl-3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053910
3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42762020
3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
CID 3661667
3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide
CID 3517537
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053514
1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053539
3-(furan-2-yl)-N-(2-methoxyethyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42762387
N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3946312
3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053861

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide (CID 5041268) is 3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide is O=C(NCCc1ccccn1)c1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide?
The InChIKey is ZDFSPDKNHXFPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4/c27-21(23-11-9-15-5-1-2-10-22-15)19-14-18(20-8-4-12-30-20)24-25(19)16-6-3-7-17(13-16)26(28)29/h1-8,10,12-14H,9,11H2,(H,23,27).
What are the key properties of 3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide?
3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 5041268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).