[(2R)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate

C17H18N2O3 — CID 97246691

IUPAC[(2R)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate
SMILESC[C@@H](OC(=O)[C@@H]1CCCc2cn[nH]c21)C(=O)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-11(16(20)12-6-3-2-4-7-12)22-17(21)14-9-5-8-13-10-18-19-15(13)14/h2-4,6-7,10-11,14H,5,8-9H2,1H3,(H,18,19)/t11-,14-/m1/s1
InChIKeyPJAUDESNIWNYNB-BXUZGUMPSA-N
MW298.34 g/mol
LogP2.64
Rot. Bonds4

About [(2R)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate

[(2R)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate (PubChem CID 97246691) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is [(2R)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate
PubChem CID97246691
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name[(2R)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate
SMILESC[C@@H](OC(=O)[C@@H]1CCCc2cn[nH]c21)C(=O)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-11(16(20)12-6-3-2-4-7-12)22-17(21)14-9-5-8-13-10-18-19-15(13)14/h2-4,6-7,10-11,14H,5,8-9H2,1H3,(H,18,19)/t11-,14-/m1/s1
InChIKeyPJAUDESNIWNYNB-BXUZGUMPSA-N
XLogP2.64
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-(1H-indazol-5-yl)-2-oxoacetate
CID 117310602
[2-(4-fluoro-3-methylphenyl)-2-oxoethyl] 1H-indazole-7-carboxylate
CID 137925702
2-cyclohexylethyl 1H-indazole-7-carboxylate
CID 141204186
tert-butyl 2-[4-[2-(1H-indazol-5-yl)acetyl]phenyl]acetate
CID 159964171
4,5,6,7-tetrahydro-1H-indazol-4-yl benzoate
CID 175889682
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 5-ethyl-1H-pyrazole-4-carboxylate
CID 40150720
(1-oxo-1-phenylpropan-2-yl) 4,5,6,7-tetrahydro-1H-indazole-7-carboxylate
CID 75391746
[(2S)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate
CID 97246690
[(2S)-1-oxo-1-phenylpropan-2-yl] (7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate
CID 97246692
[(2R)-1-oxo-1-phenylpropan-2-yl] (7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate
CID 97246693
ethyl 2-(1H-indazol-7-yl)-2-oxoacetate
CID 117310600
ethyl 2-(1H-indazol-6-yl)-2-oxoacetate
CID 117310601

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate (CID 97246691) is [(2R)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate is C[C@@H](OC(=O)[C@@H]1CCCc2cn[nH]c21)C(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate?
The InChIKey is PJAUDESNIWNYNB-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11(16(20)12-6-3-2-4-7-12)22-17(21)14-9-5-8-13-10-18-19-15(13)14/h2-4,6-7,10-11,14H,5,8-9H2,1H3,(H,18,19)/t11-,14-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate?
[(2R)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-phenylpropan-2-yl] (7R)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate is sourced from PubChem (CID 97246691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).