[(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate

C19H24N4O4 — CID 170071305

About [(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate

[(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate (PubChem CID 170071305) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is [(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate.

Molecular Properties

• Compound Name: [(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate
• PubChem CID: 170071305
• Molecular Formula: C19H24N4O4
• Molecular Weight: 372.43 g/mol
• Exact Mass: 372.18
• IUPAC Name: [(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate
• SMILES: C#C[C@H]1C[C@@H]1C(=O)Nc1cc([C@@H]2C[C@H](OC(=O)NC3(C)CCC3)CO2)[nH]n1
• InChI: InChI=1S/C19H24N4O4/c1-3-11-7-13(11)17(24)20-16-9-14(22-23-16)15-8-12(10-26-15)27-18(25)21-19(2)5-4-6-19/h1,9,11-13,15H,4-8,10H2,2H3,(H,21,25)(H2,20,22,23,24)/t11-,12-,13-,15-/m0/s1
• InChIKey: SXOCLRMZSUBCKC-ABHRYQDASA-N
• XLogP: 2.12
• TPSA: 105.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.43
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate?

The IUPAC name of [(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate (CID 170071305) is [(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate.

What is the SMILES notation for [(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate?

The canonical SMILES for [(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate is C#C[C@H]1C[C@@H]1C(=O)Nc1cc([C@@H]2C[C@H](OC(=O)NC3(C)CCC3)CO2)[nH]n1.

What is the InChIKey of [(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate?

The InChIKey is SXOCLRMZSUBCKC-ABHRYQDASA-N. The full InChI is InChI=1S/C19H24N4O4/c1-3-11-7-13(11)17(24)20-16-9-14(22-23-16)15-8-12(10-26-15)27-18(25)21-19(2)5-4-6-19/h1,9,11-13,15H,4-8,10H2,2H3,(H,21,25)(H2,20,22,23,24)/t11-,12-,13-,15-/m0/s1.

What are the key properties of [(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate?

[(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate has a molecular weight of 372.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate is sourced from PubChem (CID 170071305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).