6-[3-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H33N5O2 — CID 55870490

About 6-[3-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[3-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55870490) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 6-[3-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 55870490
• Molecular Formula: C23H33N5O2
• Molecular Weight: 411.55 g/mol
• Exact Mass: 411.26
• IUPAC Name: 6-[3-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCC1CCC(N(C(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)C2CC2)CC1
• InChI: InChI=1S/C23H33N5O2/c1-4-16-5-7-17(8-6-16)27(18-9-10-18)21(29)12-11-19-14(2)26-23-20(22(24)30)13-25-28(23)15(19)3/h13,16-18H,4-12H2,1-3H3,(H2,24,30)
• InChIKey: JJNZNQNFVMKMHT-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 93.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.55
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[3-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 6-[3-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55870490) is 6-[3-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 6-[3-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 6-[3-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC1CCC(N(C(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)C2CC2)CC1.

What is the InChIKey of 6-[3-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is JJNZNQNFVMKMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-4-16-5-7-17(8-6-16)27(18-9-10-18)21(29)12-11-19-14(2)26-23-20(22(24)30)13-25-28(23)15(19)3/h13,16-18H,4-12H2,1-3H3,(H2,24,30).

What are the key properties of 6-[3-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

6-[3-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55870490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).