N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

C20H27N7O — CID 55863677

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 55863677) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

• Compound Name: N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
• PubChem CID: 55863677
• Molecular Formula: C20H27N7O
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.23
• IUPAC Name: N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
• SMILES: Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cc(CC2CCCCC2)[nH]n1
• InChI: InChI=1S/C20H27N7O/c1-13-17(14(2)27-20(23-13)21-12-22-27)8-9-19(28)24-18-11-16(25-26-18)10-15-6-4-3-5-7-15/h11-12,15H,3-10H2,1-2H3,(H2,24,25,26,28)
• InChIKey: SPCJLTHTIVVYSD-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 100.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?

The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 55863677) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?

The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cc(CC2CCCCC2)[nH]n1.

What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?

The InChIKey is SPCJLTHTIVVYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-13-17(14(2)27-20(23-13)21-12-22-27)8-9-19(28)24-18-11-16(25-26-18)10-15-6-4-3-5-7-15/h11-12,15H,3-10H2,1-2H3,(H2,24,25,26,28).

What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 381.48 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 55863677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).