3-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N-propylbenzamide

C20H21N5O2 — CID 123418283

About 3-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N-propylbenzamide

3-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N-propylbenzamide (PubChem CID 123418283) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N-propylbenzamide.

Molecular Properties

• Compound Name: 3-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N-propylbenzamide
• PubChem CID: 123418283
• Molecular Formula: C20H21N5O2
• Molecular Weight: 363.42 g/mol
• Exact Mass: 363.17
• IUPAC Name: 3-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N-propylbenzamide
• SMILES: CCCNC(=O)c1cccc(-c2nc3c(C#N)c[nH]n3c(=O)c2C(C)C)c1
• InChI: InChI=1S/C20H21N5O2/c1-4-8-22-19(26)14-7-5-6-13(9-14)17-16(12(2)3)20(27)25-18(24-17)15(10-21)11-23-25/h5-7,9,11-12,23H,4,8H2,1-3H3,(H,22,26)
• InChIKey: LGTCHQUSKKRGJK-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 103.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.42
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N-propylbenzamide?

The IUPAC name of 3-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N-propylbenzamide (CID 123418283) is 3-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N-propylbenzamide.

What is the SMILES notation for 3-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N-propylbenzamide?

The canonical SMILES for 3-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N-propylbenzamide is CCCNC(=O)c1cccc(-c2nc3c(C#N)c[nH]n3c(=O)c2C(C)C)c1.

What is the InChIKey of 3-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N-propylbenzamide?

The InChIKey is LGTCHQUSKKRGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-4-8-22-19(26)14-7-5-6-13(9-14)17-16(12(2)3)20(27)25-18(24-17)15(10-21)11-23-25/h5-7,9,11-12,23H,4,8H2,1-3H3,(H,22,26).

What are the key properties of 3-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N-propylbenzamide?

3-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N-propylbenzamide has a molecular weight of 363.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N-propylbenzamide is sourced from PubChem (CID 123418283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).