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

C22H22N6O4 — CID 121116137

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

N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 121116137) has the molecular formula C22H22N6O4 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
• PubChem CID: 121116137
• Molecular Formula: C22H22N6O4
• Molecular Weight: 434.46 g/mol
• Exact Mass: 434.17
• IUPAC Name: N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
• SMILES: COc1cccc(-c2cc(C(=O)NCCn3nc(-c4ccco4)n(C4CC4)c3=O)[nH]n2)c1
• InChI: InChI=1S/C22H22N6O4/c1-31-16-5-2-4-14(12-16)17-13-18(25-24-17)21(29)23-9-10-27-22(30)28(15-7-8-15)20(26-27)19-6-3-11-32-19/h2-6,11-13,15H,7-10H2,1H3,(H,23,29)(H,24,25)
• InChIKey: DHASJGNEZRYWCX-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 119.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.46
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 121116137) is N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

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

The canonical SMILES for N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NCCn3nc(-c4ccco4)n(C4CC4)c3=O)[nH]n2)c1.

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

The InChIKey is DHASJGNEZRYWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O4/c1-31-16-5-2-4-14(12-16)17-13-18(25-24-17)21(29)23-9-10-27-22(30)28(15-7-8-15)20(26-27)19-6-3-11-32-19/h2-6,11-13,15H,7-10H2,1H3,(H,23,29)(H,24,25).

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

N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 121116137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).