(2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid

C12H11N3O2 — CID 136847031

IUPAC(2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESO=C(O)c1cnn2c1N[C@H](c1ccccc1)C2
InChIInChI=1S/C12H11N3O2/c16-12(17)9-6-13-15-7-10(14-11(9)15)8-4-2-1-3-5-8/h1-6,10,14H,7H2,(H,16,17)/t10-/m0/s1
InChIKeyYFVJSSZHIKYSEF-JTQLQIEISA-N
MW229.24 g/mol
LogP1.75
Rot. Bonds2

About (2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid

(2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid (PubChem CID 136847031) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is (2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid
PubChem CID136847031
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name(2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESO=C(O)c1cnn2c1N[C@H](c1ccccc1)C2
InChIInChI=1S/C12H11N3O2/c16-12(17)9-6-13-15-7-10(14-11(9)15)8-4-2-1-3-5-8/h1-6,10,14H,7H2,(H,16,17)/t10-/m0/s1
InChIKeyYFVJSSZHIKYSEF-JTQLQIEISA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid 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

ethyl 2-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate
CID 164510737
2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid
CID 164510683
7-[5-ethylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole
CID 155817326
1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol
CID 142866514
2-oxo-6-phenylpiperidine-3-carboxylic acid
CID 71651347
(3-benzylpyrrolidin-1-yl)-[(7S)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 136507293
3-[1-(2,2-dimethylpyrrolidin-1-yl)ethenyl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine
CID 142866526
[(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 146417662
3,4-dihydro-1H-isoquinolin-2-yl-[(5R,7S)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 135931272
(4-ethylpiperazin-1-yl)-[(5S,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 135847330
(4S)-1,4-diphenylimidazolidin-2-one
CID 163207794
7-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 136775856

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid?
The IUPAC name of (2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid (CID 136847031) is (2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid.
What is the SMILES notation for (2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid?
The canonical SMILES for (2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid is O=C(O)c1cnn2c1N[C@H](c1ccccc1)C2.
What is the InChIKey of (2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid?
The InChIKey is YFVJSSZHIKYSEF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12(17)9-6-13-15-7-10(14-11(9)15)8-4-2-1-3-5-8/h1-6,10,14H,7H2,(H,16,17)/t10-/m0/s1.
What are the key properties of (2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid?
(2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid is sourced from PubChem (CID 136847031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).