5-[(2-aminocycloheptyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H25N9O2 — CID 122515256

About 5-[(2-aminocycloheptyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2-aminocycloheptyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122515256) has the molecular formula C19H25N9O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 5-[(2-aminocycloheptyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-aminocycloheptyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 122515256
• Molecular Formula: C19H25N9O2
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.21
• IUPAC Name: 5-[(2-aminocycloheptyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCCC4N)nc23)c(C(N)=O)n1
• InChI: InChI=1S/C19H25N9O2/c1-27-10-14(16(26-27)17(21)29)24-19(30)11-9-22-28-8-7-15(25-18(11)28)23-13-6-4-2-3-5-12(13)20/h7-10,12-13H,2-6,20H2,1H3,(H2,21,29)(H,23,25)(H,24,30)
• InChIKey: NSBCBVIEXGUQHF-UHFFFAOYSA-N
• XLogP: 0.89
• TPSA: 158.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminocycloheptyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[(2-aminocycloheptyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122515256) is 5-[(2-aminocycloheptyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[(2-aminocycloheptyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[(2-aminocycloheptyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCCC4N)nc23)c(C(N)=O)n1.

What is the InChIKey of 5-[(2-aminocycloheptyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is NSBCBVIEXGUQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N9O2/c1-27-10-14(16(26-27)17(21)29)24-19(30)11-9-22-28-8-7-15(25-18(11)28)23-13-6-4-2-3-5-12(13)20/h7-10,12-13H,2-6,20H2,1H3,(H2,21,29)(H,23,25)(H,24,30).

What are the key properties of 5-[(2-aminocycloheptyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[(2-aminocycloheptyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 0.89, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-aminocycloheptyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122515256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).