4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid

C14H13N3O3 — CID 19623835

IUPAC4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(C(=O)N2CCc3ccccc32)c1C(=O)O
InChIInChI=1S/C14H13N3O3/c1-16-12(14(19)20)10(8-15-16)13(18)17-7-6-9-4-2-3-5-11(9)17/h2-5,8H,6-7H2,1H3,(H,19,20)
InChIKeyKZDUTDFUTFLXEE-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.32
Rot. Bonds2

About 4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid

4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 19623835) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
PubChem CID19623835
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(C(=O)N2CCc3ccccc32)c1C(=O)O
InChIInChI=1S/C14H13N3O3/c1-16-12(14(19)20)10(8-15-16)13(18)17-7-6-9-4-2-3-5-11(9)17/h2-5,8H,6-7H2,1H3,(H,19,20)
InChIKeyKZDUTDFUTFLXEE-UHFFFAOYSA-N
XLogP1.32
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 66120055
(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 66462242
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone
CID 110336182
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 117219041
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
(2-chlorofuran-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 106685283
2,3-dihydroindol-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762714
2,3-dihydroindol-1-yl-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547315
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 4767804
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(1-methyl-5-phenoxypyrazol-4-yl)methanone
CID 90327474
2,3-dihydroindol-1-yl-[2-(methylideneamino)phenyl]methanone
CID 122502753

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid (CID 19623835) is 4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid is Cn1ncc(C(=O)N2CCc3ccccc32)c1C(=O)O.
What is the InChIKey of 4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is KZDUTDFUTFLXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-16-12(14(19)20)10(8-15-16)13(18)17-7-6-9-4-2-3-5-11(9)17/h2-5,8H,6-7H2,1H3,(H,19,20).
What are the key properties of 4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid?
4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 19623835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).