5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

C22H20N6O2 — CID 25326947

About 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 25326947) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
• PubChem CID: 25326947
• Molecular Formula: C22H20N6O2
• Molecular Weight: 400.44 g/mol
• Exact Mass: 400.16
• IUPAC Name: 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
• SMILES: O=C(NCCc1ccccn1)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1
• InChI: InChI=1S/C22H20N6O2/c29-21(24-11-8-16-4-1-2-10-23-16)17-14-26-28(20(17)15-6-7-15)22-25-12-9-18(27-22)19-5-3-13-30-19/h1-5,9-10,12-15H,6-8,11H2,(H,24,29)
• InChIKey: SJGHQHVRKPKFAA-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.44
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?

The IUPAC name of 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (CID 25326947) is 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.

What is the SMILES notation for 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?

The canonical SMILES for 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is O=C(NCCc1ccccn1)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1.

What is the InChIKey of 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?

The InChIKey is SJGHQHVRKPKFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c29-21(24-11-8-16-4-1-2-10-23-16)17-14-26-28(20(17)15-6-7-15)22-25-12-9-18(27-22)19-5-3-13-30-19/h1-5,9-10,12-15H,6-8,11H2,(H,24,29).

What are the key properties of 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?

5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 25326947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).