(1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate

C17H19N3O3 — CID 47065445

IUPAC(1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate
SMILESCCC(=O)N1CCc2cc(C(=O)OCc3cnn(C)c3)ccc21
InChIInChI=1S/C17H19N3O3/c1-3-16(21)20-7-6-13-8-14(4-5-15(13)20)17(22)23-11-12-9-18-19(2)10-12/h4-5,8-10H,3,6-7,11H2,1-2H3
InChIKeyMXCHLWSHEBXGSF-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.08
Rot. Bonds4

About (1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate

(1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate (PubChem CID 47065445) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate
PubChem CID47065445
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate
SMILESCCC(=O)N1CCc2cc(C(=O)OCc3cnn(C)c3)ccc21
InChIInChI=1S/C17H19N3O3/c1-3-16(21)20-7-6-13-8-14(4-5-15(13)20)17(22)23-11-12-9-18-19(2)10-12/h4-5,8-10H,3,6-7,11H2,1-2H3
InChIKeyMXCHLWSHEBXGSF-UHFFFAOYSA-N
XLogP2.08
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpyrazol-4-yl)methyl 3-amino-4-fluorobenzoate
CID 62127387
1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid
CID 154780775
methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 46490405
1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate
CID 86890633
methyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate
CID 122135010
N-(2-hydroxyethyl)-N-methyl-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 110895331
methyl 1-(3,3-dimethylbutanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917336
(4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate
CID 71869332
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326
ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate
CID 53090008
(1-methylpyrazol-4-yl)methyl 5-amino-1-benzofuran-2-carboxylate
CID 62127700
ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate
CID 53090031

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate?
The IUPAC name of (1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate (CID 47065445) is (1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for (1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for (1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate is CCC(=O)N1CCc2cc(C(=O)OCc3cnn(C)c3)ccc21.
What is the InChIKey of (1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate?
The InChIKey is MXCHLWSHEBXGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-16(21)20-7-6-13-8-14(4-5-15(13)20)17(22)23-11-12-9-18-19(2)10-12/h4-5,8-10H,3,6-7,11H2,1-2H3.
What are the key properties of (1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate?
(1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 47065445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).