N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-4,5-dimethylfuran-2-carboxamide

C21H23N5O2 — CID 166225208

IUPACN-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-4,5-dimethylfuran-2-carboxamide
SMILESCc1ccc(-n2nc(CCCNC(=O)c3cc(C)c(C)o3)c(C#N)c2N)cc1
InChIInChI=1S/C21H23N5O2/c1-13-6-8-16(9-7-13)26-20(23)17(12-22)18(25-26)5-4-10-24-21(27)19-11-14(2)15(3)28-19/h6-9,11H,4-5,10,23H2,1-3H3,(H,24,27)
InChIKeyRUKRIKVAIXDSDG-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.21
Rot. Bonds6

About N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-4,5-dimethylfuran-2-carboxamide

N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-4,5-dimethylfuran-2-carboxamide (PubChem CID 166225208) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-4,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-4,5-dimethylfuran-2-carboxamide
PubChem CID166225208
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-4,5-dimethylfuran-2-carboxamide
SMILESCc1ccc(-n2nc(CCCNC(=O)c3cc(C)c(C)o3)c(C#N)c2N)cc1
InChIInChI=1S/C21H23N5O2/c1-13-6-8-16(9-7-13)26-20(23)17(12-22)18(25-26)5-4-10-24-21(27)19-11-14(2)15(3)28-19/h6-9,11H,4-5,10,23H2,1-3H3,(H,24,27)
InChIKeyRUKRIKVAIXDSDG-UHFFFAOYSA-N
XLogP3.21
TPSA109.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-4,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-4,5-dimethylfuran-2-carboxamide (CID 166225208) is N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-4,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-4,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-4,5-dimethylfuran-2-carboxamide is Cc1ccc(-n2nc(CCCNC(=O)c3cc(C)c(C)o3)c(C#N)c2N)cc1.
What is the InChIKey of N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-4,5-dimethylfuran-2-carboxamide?
The InChIKey is RUKRIKVAIXDSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13-6-8-16(9-7-13)26-20(23)17(12-22)18(25-26)5-4-10-24-21(27)19-11-14(2)15(3)28-19/h6-9,11H,4-5,10,23H2,1-3H3,(H,24,27).
What are the key properties of N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-4,5-dimethylfuran-2-carboxamide?
N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-4,5-dimethylfuran-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-4,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 166225208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).