1-ethyl-2-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl]cyclopropane-1-carboxylic acid

C18H29N3O5 — CID 135345043

About 1-ethyl-2-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl]cyclopropane-1-carboxylic acid

1-ethyl-2-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 135345043) has the molecular formula C18H29N3O5 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-ethyl-2-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-ethyl-2-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl]cyclopropane-1-carboxylic acid
• PubChem CID: 135345043
• Molecular Formula: C18H29N3O5
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.21
• IUPAC Name: 1-ethyl-2-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl]cyclopropane-1-carboxylic acid
• SMILES: CCC1(C(=O)O)CC1c1cnn(CCOCCNC(=O)OC(C)(C)C)c1
• InChI: InChI=1S/C18H29N3O5/c1-5-18(15(22)23)10-14(18)13-11-20-21(12-13)7-9-25-8-6-19-16(24)26-17(2,3)4/h11-12,14H,5-10H2,1-4H3,(H,19,24)(H,22,23)
• InChIKey: IZCAWZXVQMXHRU-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 102.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl]cyclopropane-1-carboxylic acid?

The IUPAC name of 1-ethyl-2-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl]cyclopropane-1-carboxylic acid (CID 135345043) is 1-ethyl-2-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for 1-ethyl-2-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl]cyclopropane-1-carboxylic acid?

The canonical SMILES for 1-ethyl-2-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl]cyclopropane-1-carboxylic acid is CCC1(C(=O)O)CC1c1cnn(CCOCCNC(=O)OC(C)(C)C)c1.

What is the InChIKey of 1-ethyl-2-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl]cyclopropane-1-carboxylic acid?

The InChIKey is IZCAWZXVQMXHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5/c1-5-18(15(22)23)10-14(18)13-11-20-21(12-13)7-9-25-8-6-19-16(24)26-17(2,3)4/h11-12,14H,5-10H2,1-4H3,(H,19,24)(H,22,23).

What are the key properties of 1-ethyl-2-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl]cyclopropane-1-carboxylic acid?

1-ethyl-2-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrazol-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 135345043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).