1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid

C15H15N3O3 — CID 102711011

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
SMILESCCn1cc(CN2C(=O)Cc3ccc(C(=O)O)cc32)cn1
InChIInChI=1S/C15H15N3O3/c1-2-17-8-10(7-16-17)9-18-13-5-12(15(20)21)4-3-11(13)6-14(18)19/h3-5,7-8H,2,6,9H2,1H3,(H,20,21)
InChIKeyMCOGZJACDKTSJY-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.69
Rot. Bonds4

About 1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid

1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid (PubChem CID 102711011) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
PubChem CID102711011
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
SMILESCCn1cc(CN2C(=O)Cc3ccc(C(=O)O)cc32)cn1
InChIInChI=1S/C15H15N3O3/c1-2-17-8-10(7-16-17)9-18-13-5-12(15(20)21)4-3-11(13)6-14(18)19/h3-5,7-8H,2,6,9H2,1H3,(H,20,21)
InChIKeyMCOGZJACDKTSJY-UHFFFAOYSA-N
XLogP1.69
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid (CID 102711011) is 1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid is CCn1cc(CN2C(=O)Cc3ccc(C(=O)O)cc32)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid?
The InChIKey is MCOGZJACDKTSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-17-8-10(7-16-17)9-18-13-5-12(15(20)21)4-3-11(13)6-14(18)19/h3-5,7-8H,2,6,9H2,1H3,(H,20,21).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid?
1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid is sourced from PubChem (CID 102711011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).