2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H24N4O4 — CID 70714171

About 2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 70714171) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 70714171
• Molecular Formula: C18H24N4O4
• Molecular Weight: 360.41 g/mol
• Exact Mass: 360.18
• IUPAC Name: 2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: Cc1cc(C(=O)N2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)n[nH]1
• InChI: InChI=1S/C18H24N4O4/c1-11-8-13(20-19-11)16(24)21-6-4-18(5-7-21)9-14(17(25)26)22(10-18)15(23)12-2-3-12/h8,12,14H,2-7,9-10H2,1H3,(H,19,20)(H,25,26)
• InChIKey: SZEPMMUZRWSTJY-UHFFFAOYSA-N
• XLogP: 1.04
• TPSA: 106.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.41
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of 2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 70714171) is 2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for 2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for 2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1cc(C(=O)N2CCC3(CC2)CC(C(=O)O)N(C(=O)C2CC2)C3)n[nH]1.

What is the InChIKey of 2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is SZEPMMUZRWSTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-11-8-13(20-19-11)16(24)21-6-4-18(5-7-21)9-14(17(25)26)22(10-18)15(23)12-2-3-12/h8,12,14H,2-7,9-10H2,1H3,(H,19,20)(H,25,26).

What are the key properties of 2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 70714171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).