N-[1-(cyclobutylamino)-5-morpholin-4-yl-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide

C30H43N5O5 — CID 164942956

About N-[1-(cyclobutylamino)-5-morpholin-4-yl-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide

N-[1-(cyclobutylamino)-5-morpholin-4-yl-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide (PubChem CID 164942956) has the molecular formula C30H43N5O5 and a molecular weight of 553.70 g/mol. Its IUPAC name is N-[1-(cyclobutylamino)-5-morpholin-4-yl-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(cyclobutylamino)-5-morpholin-4-yl-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide
• PubChem CID: 164942956
• Molecular Formula: C30H43N5O5
• Molecular Weight: 553.70 g/mol
• Exact Mass: 553.33
• IUPAC Name: N-[1-(cyclobutylamino)-5-morpholin-4-yl-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide
• SMILES: COc1cccc(OC)c1-c1cc(C(=O)NC(CCN2CCOCC2)CC(=O)NC2CCC2)nn1C1CCCC1
• InChI: InChI=1S/C30H43N5O5/c1-38-26-11-6-12-27(39-2)29(26)25-20-24(33-35(25)23-9-3-4-10-23)30(37)32-22(13-14-34-15-17-40-18-16-34)19-28(36)31-21-7-5-8-21/h6,11-12,20-23H,3-5,7-10,13-19H2,1-2H3,(H,31,36)(H,32,37)
• InChIKey: SHRVXZIVADPHCO-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 106.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.70
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclobutylamino)-5-morpholin-4-yl-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide?

The IUPAC name of N-[1-(cyclobutylamino)-5-morpholin-4-yl-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide (CID 164942956) is N-[1-(cyclobutylamino)-5-morpholin-4-yl-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide.

What is the SMILES notation for N-[1-(cyclobutylamino)-5-morpholin-4-yl-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide?

The canonical SMILES for N-[1-(cyclobutylamino)-5-morpholin-4-yl-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide is COc1cccc(OC)c1-c1cc(C(=O)NC(CCN2CCOCC2)CC(=O)NC2CCC2)nn1C1CCCC1.

What is the InChIKey of N-[1-(cyclobutylamino)-5-morpholin-4-yl-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide?

The InChIKey is SHRVXZIVADPHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N5O5/c1-38-26-11-6-12-27(39-2)29(26)25-20-24(33-35(25)23-9-3-4-10-23)30(37)32-22(13-14-34-15-17-40-18-16-34)19-28(36)31-21-7-5-8-21/h6,11-12,20-23H,3-5,7-10,13-19H2,1-2H3,(H,31,36)(H,32,37).

What are the key properties of N-[1-(cyclobutylamino)-5-morpholin-4-yl-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide?

N-[1-(cyclobutylamino)-5-morpholin-4-yl-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 553.70 g/mol, XLogP of 3.56, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(cyclobutylamino)-5-morpholin-4-yl-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 164942956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).