5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H23N5O2 — CID 87024312

About 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 87024312) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 87024312
• Molecular Formula: C16H23N5O2
• Molecular Weight: 317.39 g/mol
• Exact Mass: 317.19
• IUPAC Name: 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N(C)C(C)C
• InChI: InChI=1S/C16H23N5O2/c1-9(2)20(5)14(22)7-6-12-10(3)19-16-13(15(17)23)8-18-21(16)11(12)4/h8-9H,6-7H2,1-5H3,(H2,17,23)
• InChIKey: KBWURUNINLETSG-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 93.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.39
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 87024312) is 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N(C)C(C)C.

What is the InChIKey of 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is KBWURUNINLETSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-9(2)20(5)14(22)7-6-12-10(3)19-16-13(15(17)23)8-18-21(16)11(12)4/h8-9H,6-7H2,1-5H3,(H2,17,23).

What are the key properties of 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 87024312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).