6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H26N6O3 — CID 48504059

About 6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 48504059) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 48504059
• Molecular Formula: C18H26N6O3
• Molecular Weight: 374.45 g/mol
• Exact Mass: 374.21
• IUPAC Name: 6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCN(CC)C(=O)CNC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C
• InChI: InChI=1S/C18H26N6O3/c1-5-23(6-2)16(26)10-20-15(25)8-7-13-11(3)22-18-14(17(19)27)9-21-24(18)12(13)4/h9H,5-8,10H2,1-4H3,(H2,19,27)(H,20,25)
• InChIKey: SGDKRCPVJYTZTI-UHFFFAOYSA-N
• XLogP: 0.36
• TPSA: 122.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.45
LogP ≤ 5	0.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 48504059) is 6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)C(=O)CNC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C.

What is the InChIKey of 6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is SGDKRCPVJYTZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-5-23(6-2)16(26)10-20-15(25)8-7-13-11(3)22-18-14(17(19)27)9-21-24(18)12(13)4/h9H,5-8,10H2,1-4H3,(H2,19,27)(H,20,25).

What are the key properties of 6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 48504059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).