1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid

C9H11N3O3 — CID 172625364

IUPAC1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESCOCCn1ccn2ncc(C(=O)O)c12
InChIInChI=1S/C9H11N3O3/c1-15-5-4-11-2-3-12-8(11)7(6-10-12)9(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyQBVSRBKEEGUNDC-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.48
Rot. Bonds4

About 1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid

1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid (PubChem CID 172625364) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid
PubChem CID172625364
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESCOCCn1ccn2ncc(C(=O)O)c12
InChIInChI=1S/C9H11N3O3/c1-15-5-4-11-2-3-12-8(11)7(6-10-12)9(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyQBVSRBKEEGUNDC-UHFFFAOYSA-N
XLogP0.48
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[3-(dimethylamino)propyl]imidazo[2,1-e]pyrazole-7-carboxylate
CID 82589008
1-tert-butyl-5-(2-methoxyethyl)pyrazole-4-carboxylic acid
CID 68584322
5-(2-methoxyethylamino)-1-methylpyrazole-4-carboxylic acid
CID 142758448
5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 121208399
5-(2-hydroxy-3-methoxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 90284857
4-(2-methoxyethyl)-3-oxopyrazine-2-carboxylic acid
CID 154074662
5-(2-methoxyethylsulfonylmethyl)-1-methylpyrazole-4-carboxylic acid
CID 116630467
4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 19623815
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid
CID 114608879
5-(3-methoxypropylsulfanylmethyl)-1-methylpyrazole-4-carboxylic acid
CID 116630063
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103125389
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 72932343

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid (CID 172625364) is 1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid is COCCn1ccn2ncc(C(=O)O)c12.
What is the InChIKey of 1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid?
The InChIKey is QBVSRBKEEGUNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-15-5-4-11-2-3-12-8(11)7(6-10-12)9(13)14/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid?
1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid has a molecular weight of 209.21 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)imidazo[2,1-e]pyrazole-7-carboxylic acid is sourced from PubChem (CID 172625364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).