(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;methyl 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)pyrazole-5-carboxylate;[(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

C48H59F9N14O13 — CID 175931403

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;methyl 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)pyrazole-5-carboxylate;[(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;methyl 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)pyrazole-5-carboxylate;[(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 175931403) has the molecular formula C48H59F9N14O13 and a molecular weight of 1211.07 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;methyl 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)pyrazole-5-carboxylate;[(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;methyl 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)pyrazole-5-carboxylate;[(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: 175931403
• Molecular Formula: C48H59F9N14O13
• Molecular Weight: 1211.07 g/mol
• Exact Mass: 1210.42
• 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;methyl 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)pyrazole-5-carboxylate;[(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: COC(=O)c1cc(C(O)C(F)(F)F)nn1C.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.C8H9F3N2O3/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;1-13-5(7(15)16-2)3-4(12-13)6(14)8(9,10)11/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);3,6,14H,1-2H3/t10-,14-,16+;10-,14-,16-;/m11./s1
• InChIKey: DQIOMIADKVSUGM-TXWHZQDFSA-N
• XLogP: 6.56
• TPSA: 331.34 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1211.07
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

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;methyl 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)pyrazole-5-carboxylate;[(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;methyl 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)pyrazole-5-carboxylate;[(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 175931403) 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;methyl 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)pyrazole-5-carboxylate;[(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;methyl 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)pyrazole-5-carboxylate;[(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;methyl 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)pyrazole-5-carboxylate;[(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 COC(=O)c1cc(C(O)C(F)(F)F)nn1C.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;methyl 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)pyrazole-5-carboxylate;[(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 DQIOMIADKVSUGM-TXWHZQDFSA-N. The full InChI is InChI=1S/2C20H25F3N6O5.C8H9F3N2O3/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;1-13-5(7(15)16-2)3-4(12-13)6(14)8(9,10)11/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);3,6,14H,1-2H3/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;methyl 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)pyrazole-5-carboxylate;[(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;methyl 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)pyrazole-5-carboxylate;[(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 1211.07 g/mol, XLogP of 6.56, 16 rotatable bonds, 7 hydrogen bond donors, and 20 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;methyl 1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)pyrazole-5-carboxylate;[(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 175931403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).