methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate

C19H19N3O3 — CID 119042310

IUPACmethyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate
SMILESCOC(=O)C(C)C(NC(=O)c1ccc2[nH]ncc2c1)c1ccccc1
InChIInChI=1S/C19H19N3O3/c1-12(19(24)25-2)17(13-6-4-3-5-7-13)21-18(23)14-8-9-16-15(10-14)11-20-22-16/h3-12,17H,1-2H3,(H,20,22)(H,21,23)
InChIKeyHJIUTRPNOQMQLQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.84
Rot. Bonds5

About methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate

methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate (PubChem CID 119042310) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate
PubChem CID119042310
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Namemethyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate
SMILESCOC(=O)C(C)C(NC(=O)c1ccc2[nH]ncc2c1)c1ccccc1
InChIInChI=1S/C19H19N3O3/c1-12(19(24)25-2)17(13-6-4-3-5-7-13)21-18(23)14-8-9-16-15(10-14)11-20-22-16/h3-12,17H,1-2H3,(H,20,22)(H,21,23)
InChIKeyHJIUTRPNOQMQLQ-UHFFFAOYSA-N
XLogP2.84
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-indazole-5-carbonylamino)butanoic acid
CID 43172665
(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid
CID 79011193
tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate
CID 80999514
N-methyl-1H-indazole-5-carboxamide
CID 22934041
N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
CID 79027801
methyl 3-(1H-indazol-5-yl)-2,3-diphenylpropanoate
CID 59252820
(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 51888645
methyl (2S,3R)-3-acetamido-2-methyl-3-phenylpropanoate
CID 101468384
methyl (2R,3R)-3-(methoxycarbonylamino)-2-methyl-3-phenylpropanoate
CID 14027268
N-[cyclopropyl(phenyl)methyl]-1H-indazole-6-carboxamide
CID 167970891
2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115283782
methyl 3-(imidazo[1,2-a]pyridine-6-carbonylamino)-2-methyl-3-phenylpropanoate
CID 86778568

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate?
The IUPAC name of methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate (CID 119042310) is methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate.
What is the SMILES notation for methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate?
The canonical SMILES for methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate is COC(=O)C(C)C(NC(=O)c1ccc2[nH]ncc2c1)c1ccccc1.
What is the InChIKey of methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate?
The InChIKey is HJIUTRPNOQMQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(19(24)25-2)17(13-6-4-3-5-7-13)21-18(23)14-8-9-16-15(10-14)11-20-22-16/h3-12,17H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate?
methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate has a molecular weight of 337.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate is sourced from PubChem (CID 119042310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).