(1-methylcyclopropyl)-[(3R,5R)-5-[3-[[1-methyl-3-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]carbamic acid;[(3R,5R)-5-[3-[[1-methyl-3-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C40H50F6N12O10 — CID 175931394

About (1-methylcyclopropyl)-[(3R,5R)-5-[3-[[1-methyl-3-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]carbamic acid;[(3R,5R)-5-[3-[[1-methyl-3-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

(1-methylcyclopropyl)-[(3R,5R)-5-[3-[[1-methyl-3-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]carbamic acid;[(3R,5R)-5-[3-[[1-methyl-3-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 175931394) has the molecular formula C40H50F6N12O10 and a molecular weight of 972.90 g/mol. Its IUPAC name is (1-methylcyclopropyl)-[(3R,5R)-5-[3-[[1-methyl-3-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]carbamic acid;[(3R,5R)-5-[3-[[1-methyl-3-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: (1-methylcyclopropyl)-[(3R,5R)-5-[3-[[1-methyl-3-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]carbamic acid;[(3R,5R)-5-[3-[[1-methyl-3-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 175931394
• Molecular Formula: C40H50F6N12O10
• Molecular Weight: 972.90 g/mol
• Exact Mass: 972.37
• IUPAC Name: (1-methylcyclopropyl)-[(3R,5R)-5-[3-[[1-methyl-3-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]carbamic acid;[(3R,5R)-5-[3-[[1-methyl-3-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• SMILES: CO[C@@H](c1cc(C(=O)Nc2cc([C@H]3C[C@@H](OC(=O)NC4(C)CC4)CO3)[nH]n2)n(C)n1)C(F)(F)F.CO[C@H](c1cc(C(=O)Nc2cc([C@H]3C[C@@H](N(C(=O)O)C4(C)CC4)CO3)[nH]n2)n(C)n1)C(F)(F)F
• InChI: InChI=1S/2C20H25F3N6O5/c1-19(4-5-19)25-18(31)34-10-6-14(33-9-10)11-8-15(27-26-11)24-17(30)13-7-12(28-29(13)2)16(32-3)20(21,22)23;1-19(4-5-19)29(18(31)32)10-6-14(34-9-10)11-8-15(26-25-11)24-17(30)13-7-12(27-28(13)2)16(33-3)20(21,22)23/h7-8,10,14,16H,4-6,9H2,1-3H3,(H,25,31)(H2,24,26,27,30);7-8,10,14,16H,4-6,9H2,1-3H3,(H,31,32)(H2,24,25,26,30)/t10-,14-,16+;10-,14-,16-/m11/s1
• InChIKey: SHCNRAPTRAKONW-VXXOPYRSSA-N
• XLogP: 5.76
• TPSA: 266.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	972.90
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)-[(3R,5R)-5-[3-[[1-methyl-3-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]carbamic acid;[(3R,5R)-5-[3-[[1-methyl-3-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of (1-methylcyclopropyl)-[(3R,5R)-5-[3-[[1-methyl-3-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]carbamic acid;[(3R,5R)-5-[3-[[1-methyl-3-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 175931394) is (1-methylcyclopropyl)-[(3R,5R)-5-[3-[[1-methyl-3-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]carbamic acid;[(3R,5R)-5-[3-[[1-methyl-3-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for (1-methylcyclopropyl)-[(3R,5R)-5-[3-[[1-methyl-3-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]carbamic acid;[(3R,5R)-5-[3-[[1-methyl-3-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for (1-methylcyclopropyl)-[(3R,5R)-5-[3-[[1-methyl-3-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]carbamic acid;[(3R,5R)-5-[3-[[1-methyl-3-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is CO[C@@H](c1cc(C(=O)Nc2cc([C@H]3C[C@@H](OC(=O)NC4(C)CC4)CO3)[nH]n2)n(C)n1)C(F)(F)F.CO[C@H](c1cc(C(=O)Nc2cc([C@H]3C[C@@H](N(C(=O)O)C4(C)CC4)CO3)[nH]n2)n(C)n1)C(F)(F)F.

What is the InChIKey of (1-methylcyclopropyl)-[(3R,5R)-5-[3-[[1-methyl-3-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]carbamic acid;[(3R,5R)-5-[3-[[1-methyl-3-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is SHCNRAPTRAKONW-VXXOPYRSSA-N. The full InChI is InChI=1S/2C20H25F3N6O5/c1-19(4-5-19)25-18(31)34-10-6-14(33-9-10)11-8-15(27-26-11)24-17(30)13-7-12(28-29(13)2)16(32-3)20(21,22)23;1-19(4-5-19)29(18(31)32)10-6-14(34-9-10)11-8-15(26-25-11)24-17(30)13-7-12(27-28(13)2)16(33-3)20(21,22)23/h7-8,10,14,16H,4-6,9H2,1-3H3,(H,25,31)(H2,24,26,27,30);7-8,10,14,16H,4-6,9H2,1-3H3,(H,31,32)(H2,24,25,26,30)/t10-,14-,16+;10-,14-,16-/m11/s1.

What are the key properties of (1-methylcyclopropyl)-[(3R,5R)-5-[3-[[1-methyl-3-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]carbamic acid;[(3R,5R)-5-[3-[[1-methyl-3-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

(1-methylcyclopropyl)-[(3R,5R)-5-[3-[[1-methyl-3-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]carbamic acid;[(3R,5R)-5-[3-[[1-methyl-3-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 972.90 g/mol, XLogP of 5.76, 14 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylcyclopropyl)-[(3R,5R)-5-[3-[[1-methyl-3-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]carbamic acid;[(3R,5R)-5-[3-[[1-methyl-3-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 175931394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).