5,7-dimethyl-6-[3-[(3-methylcyclohexyl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H27N5O2 — CID 60506069

About 5,7-dimethyl-6-[3-[(3-methylcyclohexyl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-6-[3-[(3-methylcyclohexyl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 60506069) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 5,7-dimethyl-6-[3-[(3-methylcyclohexyl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5,7-dimethyl-6-[3-[(3-methylcyclohexyl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 60506069
• Molecular Formula: C19H27N5O2
• Molecular Weight: 357.46 g/mol
• Exact Mass: 357.22
• IUPAC Name: 5,7-dimethyl-6-[3-[(3-methylcyclohexyl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC1CCCC(C)C1
• InChI: InChI=1S/C19H27N5O2/c1-11-5-4-6-14(9-11)23-17(25)8-7-15-12(2)22-19-16(18(20)26)10-21-24(19)13(15)3/h10-11,14H,4-9H2,1-3H3,(H2,20,26)(H,23,25)
• InChIKey: IBRJTIQSVMHSSG-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 102.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.46
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5,7-dimethyl-6-[3-[(3-methylcyclohexyl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 60506069) is 5,7-dimethyl-6-[3-[(3-methylcyclohexyl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5,7-dimethyl-6-[3-[(3-methylcyclohexyl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NC1CCCC(C)C1.

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

The InChIKey is IBRJTIQSVMHSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-11-5-4-6-14(9-11)23-17(25)8-7-15-12(2)22-19-16(18(20)26)10-21-24(19)13(15)3/h10-11,14H,4-9H2,1-3H3,(H2,20,26)(H,23,25).

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

5,7-dimethyl-6-[3-[(3-methylcyclohexyl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dimethyl-6-[3-[(3-methylcyclohexyl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 60506069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).