3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide

C18H22ClN5O2 — CID 135892241

About 3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide

3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide (PubChem CID 135892241) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide
• PubChem CID: 135892241
• Molecular Formula: C18H22ClN5O2
• Molecular Weight: 375.86 g/mol
• Exact Mass: 375.15
• IUPAC Name: 3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide
• SMILES: CC(C)(CCl)C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2
• InChI: InChI=1S/C18H22ClN5O2/c1-18(2,9-19)16(26)21-14-8-13(10-6-7-10)23-24(14)17-20-12-5-3-4-11(12)15(25)22-17/h8,10H,3-7,9H2,1-2H3,(H,21,26)(H,20,22,25)
• InChIKey: HZUXTGYWHMJHOZ-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 92.67 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	375.86
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide?

The IUPAC name of 3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide (CID 135892241) is 3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide.

What is the SMILES notation for 3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide?

The canonical SMILES for 3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2.

What is the InChIKey of 3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide?

The InChIKey is HZUXTGYWHMJHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-18(2,9-19)16(26)21-14-8-13(10-6-7-10)23-24(14)17-20-12-5-3-4-11(12)15(25)22-17/h8,10H,3-7,9H2,1-2H3,(H,21,26)(H,20,22,25).

What are the key properties of 3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide?

3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide has a molecular weight of 375.86 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 135892241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).