[(3R,5R)-5-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C19H21F2N7O3 — CID 164879646

About [(3R,5R)-5-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3R,5R)-5-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 164879646) has the molecular formula C19H21F2N7O3 and a molecular weight of 433.42 g/mol. Its IUPAC name is [(3R,5R)-5-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(3R,5R)-5-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 164879646
• Molecular Formula: C19H21F2N7O3
• Molecular Weight: 433.42 g/mol
• Exact Mass: 433.17
• IUPAC Name: [(3R,5R)-5-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• SMILES: CC1(NC(=O)O[C@H]2CO[C@@H](c3cc(Nc4nccn5nc(C(F)F)cc45)n[nH]3)C2)CC1
• InChI: InChI=1S/C19H21F2N7O3/c1-19(2-3-19)24-18(29)31-10-6-14(30-9-10)11-8-15(26-25-11)23-17-13-7-12(16(20)21)27-28(13)5-4-22-17/h4-5,7-8,10,14,16H,2-3,6,9H2,1H3,(H,24,29)(H2,22,23,25,26)/t10-,14-/m1/s1
• InChIKey: LURQBHFWHYIKBT-QMTHXVAHSA-N
• XLogP: 3.24
• TPSA: 118.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.42
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [(3R,5R)-5-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 164879646) is [(3R,5R)-5-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [(3R,5R)-5-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [(3R,5R)-5-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@H]2CO[C@@H](c3cc(Nc4nccn5nc(C(F)F)cc45)n[nH]3)C2)CC1.

What is the InChIKey of [(3R,5R)-5-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is LURQBHFWHYIKBT-QMTHXVAHSA-N. The full InChI is InChI=1S/C19H21F2N7O3/c1-19(2-3-19)24-18(29)31-10-6-14(30-9-10)11-8-15(26-25-11)23-17-13-7-12(16(20)21)27-28(13)5-4-22-17/h4-5,7-8,10,14,16H,2-3,6,9H2,1H3,(H,24,29)(H2,22,23,25,26)/t10-,14-/m1/s1.

What are the key properties of [(3R,5R)-5-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

[(3R,5R)-5-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 433.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5R)-5-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 164879646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).