N-[2-[4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-methoxyacetamide

C18H20ClN5O2 — CID 92567455

IUPACN-[2-[4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCn1cc(-c2ccc(Cl)cc2)c(-c2nccn2C)n1
InChIInChI=1S/C18H20ClN5O2/c1-23-9-7-21-18(23)17-15(13-3-5-14(19)6-4-13)11-24(22-17)10-8-20-16(25)12-26-2/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,25)
InChIKeyLLZGJPMOOZDGHG-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.37
Rot. Bonds7

About N-[2-[4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-methoxyacetamide

N-[2-[4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-methoxyacetamide (PubChem CID 92567455) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-methoxyacetamide
PubChem CID92567455
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC NameN-[2-[4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCn1cc(-c2ccc(Cl)cc2)c(-c2nccn2C)n1
InChIInChI=1S/C18H20ClN5O2/c1-23-9-7-21-18(23)17-15(13-3-5-14(19)6-4-13)11-24(22-17)10-8-20-16(25)12-26-2/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,25)
InChIKeyLLZGJPMOOZDGHG-UHFFFAOYSA-N
XLogP2.37
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-methoxyacetamide (CID 92567455) is N-[2-[4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-methoxyacetamide is COCC(=O)NCCn1cc(-c2ccc(Cl)cc2)c(-c2nccn2C)n1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-methoxyacetamide?
The InChIKey is LLZGJPMOOZDGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-23-9-7-21-18(23)17-15(13-3-5-14(19)6-4-13)11-24(22-17)10-8-20-16(25)12-26-2/h3-7,9,11H,8,10,12H2,1-2H3,(H,20,25).
What are the key properties of N-[2-[4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-methoxyacetamide?
N-[2-[4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-methoxyacetamide has a molecular weight of 373.84 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 92567455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).