1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid

C15H15N3O3 — CID 154780775

IUPAC1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid
SMILESCn1cc(CC(=O)N2CCc3ccc(C(=O)O)cc32)cn1
InChIInChI=1S/C15H15N3O3/c1-17-9-10(8-16-17)6-14(19)18-5-4-11-2-3-12(15(20)21)7-13(11)18/h2-3,7-9H,4-6H2,1H3,(H,20,21)
InChIKeyBEIKHGLSVRXMKD-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.25
Rot. Bonds3

About 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid

1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid (PubChem CID 154780775) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid
PubChem CID154780775
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid
SMILESCn1cc(CC(=O)N2CCc3ccc(C(=O)O)cc32)cn1
InChIInChI=1S/C15H15N3O3/c1-17-9-10(8-16-17)6-14(19)18-5-4-11-2-3-12(15(20)21)7-13(11)18/h2-3,7-9H,4-6H2,1H3,(H,20,21)
InChIKeyBEIKHGLSVRXMKD-UHFFFAOYSA-N
XLogP1.25
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylsulfonylacetyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382365
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-(2-pyridin-4-ylacetyl)-2,3-dihydroindole-6-carboxamide
CID 22382483
(1-methylpyrazol-4-yl)methyl 1-propanoyl-2,3-dihydroindole-5-carboxylate
CID 47065445
1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone
CID 125419700
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
1-(2-aminobutanoyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382387
3-[2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]benzoic acid
CID 167824242
2-[2-(1-methylpyrazol-4-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 136556446
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624593
4-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]benzoic acid
CID 43323466
1-butanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43142326

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid (CID 154780775) is 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid is Cn1cc(CC(=O)N2CCc3ccc(C(=O)O)cc32)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid?
The InChIKey is BEIKHGLSVRXMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-17-9-10(8-16-17)6-14(19)18-5-4-11-2-3-12(15(20)21)7-13(11)18/h2-3,7-9H,4-6H2,1H3,(H,20,21).
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid?
1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-carboxylic acid is sourced from PubChem (CID 154780775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).