2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate

C11H15N5O2 — CID 54961563

IUPAC2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCc1nccn1CCOC(=O)Cn1cc(N)cn1
InChIInChI=1S/C11H15N5O2/c1-9-13-2-3-15(9)4-5-18-11(17)8-16-7-10(12)6-14-16/h2-3,6-7H,4-5,8,12H2,1H3
InChIKeyVCQQZHVTVGXNJJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.21
Rot. Bonds5

About 2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate

2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 54961563) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate
PubChem CID54961563
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCc1nccn1CCOC(=O)Cn1cc(N)cn1
InChIInChI=1S/C11H15N5O2/c1-9-13-2-3-15(9)4-5-18-11(17)8-16-7-10(12)6-14-16/h2-3,6-7H,4-5,8,12H2,1H3
InChIKeyVCQQZHVTVGXNJJ-UHFFFAOYSA-N
XLogP0.21
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylimidazol-1-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61493923
1-[(2-methylimidazol-1-yl)methyl]pyrazol-4-amine
CID 95930089
2-methylsulfonylethyl 2-(4-aminopyrazol-1-yl)acetate
CID 61315217
[3-(methylamino)-3-oxopropyl] 2-(4-aminopyrazol-1-yl)acetate
CID 62325201
1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole
CID 116804692
nonyl 2-(4-aminopyrazol-1-yl)acetate
CID 61315598
4,4-difluorobut-3-enyl 2-(2-methylimidazol-1-yl)acetate
CID 163220387
2-(2-methylimidazol-1-yl)ethyl 2-(2-aminophenoxy)acetate
CID 61493883
2-(2-methylimidazol-1-yl)ethyl 3-(3-aminophenyl)propanoate
CID 80700549
2-(2,2,2-trifluoroethoxy)ethyl 2-(4-aminopyrazol-1-yl)acetate
CID 54961808
2-phenylsulfanylethyl 2-(4-aminopyrazol-1-yl)acetate
CID 79228564
2-(2-methylimidazol-1-yl)acetic acid;zinc
CID 175370537

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of 2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate (CID 54961563) is 2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for 2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate is Cc1nccn1CCOC(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is VCQQZHVTVGXNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-9-13-2-3-15(9)4-5-18-11(17)8-16-7-10(12)6-14-16/h2-3,6-7H,4-5,8,12H2,1H3.
What are the key properties of 2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate?
2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 249.27 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 54961563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).