N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C21H20N6O3 — CID 71793411

About N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 71793411) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
• PubChem CID: 71793411
• Molecular Formula: C21H20N6O3
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.16
• IUPAC Name: N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
• SMILES: O=C(NCCn1nc(C2CC2)n(-c2ccccc2)c1=O)c1cc(-c2ccco2)[nH]n1
• InChI: InChI=1S/C21H20N6O3/c28-20(17-13-16(23-24-17)18-7-4-12-30-18)22-10-11-26-21(29)27(15-5-2-1-3-6-15)19(25-26)14-8-9-14/h1-7,12-14H,8-11H2,(H,22,28)(H,23,24)
• InChIKey: ADQKYODOIQOVTC-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 110.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?

The IUPAC name of N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 71793411) is N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

What is the SMILES notation for N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?

The canonical SMILES for N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is O=C(NCCn1nc(C2CC2)n(-c2ccccc2)c1=O)c1cc(-c2ccco2)[nH]n1.

What is the InChIKey of N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?

The InChIKey is ADQKYODOIQOVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c28-20(17-13-16(23-24-17)18-7-4-12-30-18)22-10-11-26-21(29)27(15-5-2-1-3-6-15)19(25-26)14-8-9-14/h1-7,12-14H,8-11H2,(H,22,28)(H,23,24).

What are the key properties of N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?

N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71793411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).