N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C16H22F3N5O2 — CID 91911703

IUPACN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOCCn1c(C)cnc1CCNC(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C16H22F3N5O2/c1-11-8-13(16(17,18)19)22-24(11)10-15(25)20-5-4-14-21-9-12(2)23(14)6-7-26-3/h8-9H,4-7,10H2,1-3H3,(H,20,25)
InChIKeyKEEXEROEBAUSSI-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.72
Rot. Bonds8

About N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 91911703) has the molecular formula C16H22F3N5O2 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID91911703
Molecular FormulaC16H22F3N5O2
Molecular Weight373.38 g/mol
Exact Mass373.17
IUPAC NameN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOCCn1c(C)cnc1CCNC(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C16H22F3N5O2/c1-11-8-13(16(17,18)19)22-24(11)10-15(25)20-5-4-14-21-9-12(2)23(14)6-7-26-3/h8-9H,4-7,10H2,1-3H3,(H,20,25)
InChIKeyKEEXEROEBAUSSI-UHFFFAOYSA-N
XLogP1.72
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 91911703) is N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is COCCn1c(C)cnc1CCNC(=O)Cn1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is KEEXEROEBAUSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O2/c1-11-8-13(16(17,18)19)22-24(11)10-15(25)20-5-4-14-21-9-12(2)23(14)6-7-26-3/h8-9H,4-7,10H2,1-3H3,(H,20,25).
What are the key properties of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 373.38 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 91911703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).