ethane;methyl 2-[5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-3-methylcyclopropane-1-carboxylate

C30H41F3N2O3 — CID 142952330

About ethane;methyl 2-[5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-3-methylcyclopropane-1-carboxylate

ethane;methyl 2-[5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-3-methylcyclopropane-1-carboxylate (PubChem CID 142952330) has the molecular formula C30H41F3N2O3 and a molecular weight of 534.66 g/mol. Its IUPAC name is ethane;methyl 2-[5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-3-methylcyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: ethane;methyl 2-[5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-3-methylcyclopropane-1-carboxylate
• PubChem CID: 142952330
• Molecular Formula: C30H41F3N2O3
• Molecular Weight: 534.66 g/mol
• Exact Mass: 534.31
• IUPAC Name: ethane;methyl 2-[5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-3-methylcyclopropane-1-carboxylate
• SMILES: CC.CC.CC.CCc1cc(C2C(C)C2C(=O)OC)nn1-c1cccc(-c2ccccc2OC(F)(F)F)c1
• InChI: InChI=1S/C24H23F3N2O3.3C2H6/c1-4-16-13-19(21-14(2)22(21)23(30)31-3)28-29(16)17-9-7-8-15(12-17)18-10-5-6-11-20(18)32-24(25,26)27;3*1-2/h5-14,21-22H,4H2,1-3H3;3*1-2H3
• InChIKey: QGZLRCLLEZBNPR-UHFFFAOYSA-N
• XLogP: 8.60
• TPSA: 53.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.66
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-[5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-3-methylcyclopropane-1-carboxylate?

The IUPAC name of ethane;methyl 2-[5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-3-methylcyclopropane-1-carboxylate (CID 142952330) is ethane;methyl 2-[5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-3-methylcyclopropane-1-carboxylate.

What is the SMILES notation for ethane;methyl 2-[5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-3-methylcyclopropane-1-carboxylate?

The canonical SMILES for ethane;methyl 2-[5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-3-methylcyclopropane-1-carboxylate is CC.CC.CC.CCc1cc(C2C(C)C2C(=O)OC)nn1-c1cccc(-c2ccccc2OC(F)(F)F)c1.

What is the InChIKey of ethane;methyl 2-[5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-3-methylcyclopropane-1-carboxylate?

The InChIKey is QGZLRCLLEZBNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O3.3C2H6/c1-4-16-13-19(21-14(2)22(21)23(30)31-3)28-29(16)17-9-7-8-15(12-17)18-10-5-6-11-20(18)32-24(25,26)27;3*1-2/h5-14,21-22H,4H2,1-3H3;3*1-2H3.

What are the key properties of ethane;methyl 2-[5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-3-methylcyclopropane-1-carboxylate?

ethane;methyl 2-[5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-3-methylcyclopropane-1-carboxylate has a molecular weight of 534.66 g/mol, XLogP of 8.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methyl 2-[5-ethyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-3-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 142952330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).