2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid

C12H11N3O2 — CID 164510683

IUPAC2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CC(c1ccccc1)N2
InChIInChI=1S/C12H11N3O2/c16-12(17)9-6-11-13-10(7-15(11)14-9)8-4-2-1-3-5-8/h1-6,10,13H,7H2,(H,16,17)
InChIKeyUQJUKHHPNKCXDH-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.75
Rot. Bonds2

About 2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid

2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid (PubChem CID 164510683) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid
PubChem CID164510683
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CC(c1ccccc1)N2
InChIInChI=1S/C12H11N3O2/c16-12(17)9-6-11-13-10(7-15(11)14-9)8-4-2-1-3-5-8/h1-6,10,13H,7H2,(H,16,17)
InChIKeyUQJUKHHPNKCXDH-UHFFFAOYSA-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

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Related Compounds

(2R)-2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylic acid
CID 136847031
3-phenyl-2,3-dihydro-1H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid
CID 136504033
4-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 142375283
2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid
CID 135741953
(5S,7S)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 759699
(4S)-1,4-diphenylimidazolidin-2-one
CID 163207794
(4-methylpiperazin-1-yl)-[(5R,7S)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 135984481
(5S,7R)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 135858040
(5R,7S)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 135858039
7-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 136933774
4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 62131776
ethyl (5R,7R)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 759666

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid?
The IUPAC name of 2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid (CID 164510683) is 2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid.
What is the SMILES notation for 2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid?
The canonical SMILES for 2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid is O=C(O)c1cc2n(n1)CC(c1ccccc1)N2.
What is the InChIKey of 2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid?
The InChIKey is UQJUKHHPNKCXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12(17)9-6-11-13-10(7-15(11)14-9)8-4-2-1-3-5-8/h1-6,10,13H,7H2,(H,16,17).
What are the key properties of 2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid?
2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-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 2-phenyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-6-carboxylic acid is sourced from PubChem (CID 164510683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).