N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-3,5-dimethylbenzamide

C22H29N5O2 — CID 74801693

About N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-3,5-dimethylbenzamide

N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-3,5-dimethylbenzamide (PubChem CID 74801693) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-3,5-dimethylbenzamide.

Molecular Properties

• Compound Name: N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-3,5-dimethylbenzamide
• PubChem CID: 74801693
• Molecular Formula: C22H29N5O2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.23
• IUPAC Name: N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-3,5-dimethylbenzamide
• SMILES: Cc1cc(C)cc(C(=O)Nc2cc(C3CC3)nn2C2NC(=O)CC(C(C)C)N2)c1
• InChI: InChI=1S/C22H29N5O2/c1-12(2)17-11-20(28)25-22(23-17)27-19(10-18(26-27)15-5-6-15)24-21(29)16-8-13(3)7-14(4)9-16/h7-10,12,15,17,22-23H,5-6,11H2,1-4H3,(H,24,29)(H,25,28)
• InChIKey: UFHXSHAVGXVKRT-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 88.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-3,5-dimethylbenzamide?

The IUPAC name of N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-3,5-dimethylbenzamide (CID 74801693) is N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-3,5-dimethylbenzamide.

What is the SMILES notation for N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-3,5-dimethylbenzamide?

The canonical SMILES for N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2cc(C3CC3)nn2C2NC(=O)CC(C(C)C)N2)c1.

What is the InChIKey of N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-3,5-dimethylbenzamide?

The InChIKey is UFHXSHAVGXVKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-12(2)17-11-20(28)25-22(23-17)27-19(10-18(26-27)15-5-6-15)24-21(29)16-8-13(3)7-14(4)9-16/h7-10,12,15,17,22-23H,5-6,11H2,1-4H3,(H,24,29)(H,25,28).

What are the key properties of N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-3,5-dimethylbenzamide?

N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-3,5-dimethylbenzamide has a molecular weight of 395.51 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyclopropyl-1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)pyrazol-5-yl]-3,5-dimethylbenzamide is sourced from PubChem (CID 74801693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).