N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide

C20H21N5O3 — CID 74801569

About N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide

N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide (PubChem CID 74801569) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide
• PubChem CID: 74801569
• Molecular Formula: C20H21N5O3
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.16
• IUPAC Name: N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide
• SMILES: CC1CC(=O)NC(n2nc(C3CC3)cc2NC(=O)c2cc3ccccc3o2)N1
• InChI: InChI=1S/C20H21N5O3/c1-11-8-18(26)23-20(21-11)25-17(10-14(24-25)12-6-7-12)22-19(27)16-9-13-4-2-3-5-15(13)28-16/h2-5,9-12,20-21H,6-8H2,1H3,(H,22,27)(H,23,26)
• InChIKey: CWSTVZILJJMECN-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 101.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide?

The IUPAC name of N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide (CID 74801569) is N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide is CC1CC(=O)NC(n2nc(C3CC3)cc2NC(=O)c2cc3ccccc3o2)N1.

What is the InChIKey of N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide?

The InChIKey is CWSTVZILJJMECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-11-8-18(26)23-20(21-11)25-17(10-14(24-25)12-6-7-12)22-19(27)16-9-13-4-2-3-5-15(13)28-16/h2-5,9-12,20-21H,6-8H2,1H3,(H,22,27)(H,23,26).

What are the key properties of N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide?

N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyclopropyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 74801569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).