methyl 2-(hydroxymethyl)-1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-6-carboxylate

C11H15N3O4 — CID 162517412

IUPACmethyl 2-(hydroxymethyl)-1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-6-carboxylate
SMILESCOCCn1c(CO)cn2nc(C(=O)OC)cc12
InChIInChI=1S/C11H15N3O4/c1-17-4-3-13-8(7-15)6-14-10(13)5-9(12-14)11(16)18-2/h5-6,15H,3-4,7H2,1-2H3
InChIKeyDORDYMOJWNRBFX-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.06
Rot. Bonds5

About methyl 2-(hydroxymethyl)-1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-6-carboxylate

methyl 2-(hydroxymethyl)-1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-6-carboxylate (PubChem CID 162517412) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)-1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)-1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-6-carboxylate
PubChem CID162517412
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-(hydroxymethyl)-1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-6-carboxylate
SMILESCOCCn1c(CO)cn2nc(C(=O)OC)cc12
InChIInChI=1S/C11H15N3O4/c1-17-4-3-13-8(7-15)6-14-10(13)5-9(12-14)11(16)18-2/h5-6,15H,3-4,7H2,1-2H3
InChIKeyDORDYMOJWNRBFX-UHFFFAOYSA-N
XLogP0.06
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-(hydroxymethyl)-1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(2-methoxy-2-oxoethyl)imidazo[2,1-e]pyrazole-6-carboxylate
CID 121215024
methyl 1-methyl-5-(methylsulfinyloxymethyl)pyrazole-3-carboxylate
CID 135217538
methyl 3-(2-methoxyethyl)imidazo[4,5-b]pyridine-5-carboxylate
CID 175929279
methyl 1-(2-methoxyethyl)-5-(methoxymethyl)pyrrole-3-carboxylate
CID 146261338
methyl 3-[[5-(hydroxymethyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanylmethyl]benzoate
CID 7115154
methyl 1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate
CID 104601014
1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 71196349
methyl 1-(1-methoxypropan-2-yl)triazole-4-carboxylate
CID 103108011
methyl 5-isocyano-1-methylpyrazole-3-carboxylate
CID 58448432
methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 159573699
methyl 5-(2-cyanopropan-2-yl)-1-methylpyrazole-3-carboxylate
CID 121216192
4-hydroxy-1-(2-methoxyethyl)pyrazole-3-carboxylic acid
CID 165467792

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxymethyl)-1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-6-carboxylate?
The IUPAC name of methyl 2-(hydroxymethyl)-1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-6-carboxylate (CID 162517412) is methyl 2-(hydroxymethyl)-1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-6-carboxylate.
What is the SMILES notation for methyl 2-(hydroxymethyl)-1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-6-carboxylate?
The canonical SMILES for methyl 2-(hydroxymethyl)-1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-6-carboxylate is COCCn1c(CO)cn2nc(C(=O)OC)cc12.
What is the InChIKey of methyl 2-(hydroxymethyl)-1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-6-carboxylate?
The InChIKey is DORDYMOJWNRBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-17-4-3-13-8(7-15)6-14-10(13)5-9(12-14)11(16)18-2/h5-6,15H,3-4,7H2,1-2H3.
What are the key properties of methyl 2-(hydroxymethyl)-1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-6-carboxylate?
methyl 2-(hydroxymethyl)-1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-6-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)-1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-6-carboxylate is sourced from PubChem (CID 162517412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).