[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate

C17H13ClN2O3 — CID 25350599

IUPAC[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
SMILESC[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H13ClN2O3/c1-10(16(21)11-5-4-6-12(18)9-11)23-17(22)15-13-7-2-3-8-14(13)19-20-15/h2-10H,1H3,(H,19,20)/t10-/m1/s1
InChIKeyXDWHMGJQOQASNJ-SNVBAGLBSA-N
MW328.76 g/mol
LogP3.64
Rot. Bonds4

About [(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate

[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate (PubChem CID 25350599) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is [(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
PubChem CID25350599
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
SMILESC[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H13ClN2O3/c1-10(16(21)11-5-4-6-12(18)9-11)23-17(22)15-13-7-2-3-8-14(13)19-20-15/h2-10H,1H3,(H,19,20)/t10-/m1/s1
InChIKeyXDWHMGJQOQASNJ-SNVBAGLBSA-N
XLogP3.64
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate
CID 16578204
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[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
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[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
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CID 2651718
[(2S)-1-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2664597
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7372650
[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate
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[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 27911555
[(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2630767
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 42885407
[(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The IUPAC name of [(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate (CID 25350599) is [(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The canonical SMILES for [(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate is C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)c1cccc(Cl)c1.
What is the InChIKey of [(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The InChIKey is XDWHMGJQOQASNJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-10(16(21)11-5-4-6-12(18)9-11)23-17(22)15-13-7-2-3-8-14(13)19-20-15/h2-10H,1H3,(H,19,20)/t10-/m1/s1.
What are the key properties of [(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate has a molecular weight of 328.76 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 25350599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).