1-cyclopropyl-3-ethyl-1-[9-(1-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea

C21H33N5O3 — CID 91919850

About 1-cyclopropyl-3-ethyl-1-[9-(1-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea

1-cyclopropyl-3-ethyl-1-[9-(1-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea (PubChem CID 91919850) has the molecular formula C21H33N5O3 and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-1-[9-(1-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-ethyl-1-[9-(1-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea
• PubChem CID: 91919850
• Molecular Formula: C21H33N5O3
• Molecular Weight: 403.53 g/mol
• Exact Mass: 403.26
• IUPAC Name: 1-cyclopropyl-3-ethyl-1-[9-(1-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea
• SMILES: CCNC(=O)N(C1CC1)C1CCOC2(CCN(C(=O)c3ccn(CC)n3)CC2)C1
• InChI: InChI=1S/C21H33N5O3/c1-3-22-20(28)26(16-5-6-16)17-8-14-29-21(15-17)9-12-24(13-10-21)19(27)18-7-11-25(4-2)23-18/h7,11,16-17H,3-6,8-10,12-15H2,1-2H3,(H,22,28)
• InChIKey: YLCIGHZHJAXFDN-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.53
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-1-[9-(1-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea?

The IUPAC name of 1-cyclopropyl-3-ethyl-1-[9-(1-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea (CID 91919850) is 1-cyclopropyl-3-ethyl-1-[9-(1-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea.

What is the SMILES notation for 1-cyclopropyl-3-ethyl-1-[9-(1-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea?

The canonical SMILES for 1-cyclopropyl-3-ethyl-1-[9-(1-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea is CCNC(=O)N(C1CC1)C1CCOC2(CCN(C(=O)c3ccn(CC)n3)CC2)C1.

What is the InChIKey of 1-cyclopropyl-3-ethyl-1-[9-(1-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea?

The InChIKey is YLCIGHZHJAXFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3/c1-3-22-20(28)26(16-5-6-16)17-8-14-29-21(15-17)9-12-24(13-10-21)19(27)18-7-11-25(4-2)23-18/h7,11,16-17H,3-6,8-10,12-15H2,1-2H3,(H,22,28).

What are the key properties of 1-cyclopropyl-3-ethyl-1-[9-(1-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea?

1-cyclopropyl-3-ethyl-1-[9-(1-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea has a molecular weight of 403.53 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-ethyl-1-[9-(1-ethylpyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]urea is sourced from PubChem (CID 91919850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).