4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid

C10H13N3O3 — CID 118165449

IUPAC4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid
SMILESCc1cc2n(n1)CCN2C(=O)CCC(=O)O
InChIInChI=1S/C10H13N3O3/c1-7-6-8-12(4-5-13(8)11-7)9(14)2-3-10(15)16/h6H,2-5H2,1H3,(H,15,16)
InChIKeyFFAGQDXUMNSQRP-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.40
Rot. Bonds3

About 4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid

4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid (PubChem CID 118165449) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid
PubChem CID118165449
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid
SMILESCc1cc2n(n1)CCN2C(=O)CCC(=O)O
InChIInChI=1S/C10H13N3O3/c1-7-6-8-12(4-5-13(8)11-7)9(14)2-3-10(15)16/h6H,2-5H2,1H3,(H,15,16)
InChIKeyFFAGQDXUMNSQRP-UHFFFAOYSA-N
XLogP0.40
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-[2-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]butanoic acid
CID 118165650
4-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl)-4-oxobutanoic acid
CID 44121602
1-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691269
Methyl 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-oxopyrrolidine-3-carboxylate
CID 168694018
4-[(2,5-Dimethylpyrazol-3-yl)amino]-4-oxobutanoic acid
CID 2811959
1-(1,3-dimethyl-1H-pyrazol-5-yl)-2,5-pyrrolidinedione
CID 2811962
4-{2-Methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}butanoic acid
CID 20887732
4-((1,5-Dimethyl-1H-pyrazol-3-yl)amino)-4-oxobutanoic acid
CID 17375662
1-Boc-6-methyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazole
CID 58377082
1-(1,5-Dimethyl-3-pyrazolyl)-2-pyrrolidinone
CID 68087598
4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanoic acid
CID 118165808
3-methyl-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanoic acid
CID 118165812

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid (CID 118165449) is 4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid is Cc1cc2n(n1)CCN2C(=O)CCC(=O)O.
What is the InChIKey of 4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid?
The InChIKey is FFAGQDXUMNSQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7-6-8-12(4-5-13(8)11-7)9(14)2-3-10(15)16/h6H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid?
4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 118165449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).