3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid

C15H15N3O2 — CID 82487888

IUPAC3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid
SMILESCn1cc(-c2cc(CCC(=O)O)[nH]n2)c2ccccc21
InChIInChI=1S/C15H15N3O2/c1-18-9-12(11-4-2-3-5-14(11)18)13-8-10(16-17-13)6-7-15(19)20/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H,19,20)
InChIKeyHPGUWBLASUJUJD-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.59
Rot. Bonds4

About 3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid

3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid (PubChem CID 82487888) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid
PubChem CID82487888
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid
SMILESCn1cc(-c2cc(CCC(=O)O)[nH]n2)c2ccccc21
InChIInChI=1S/C15H15N3O2/c1-18-9-12(11-4-2-3-5-14(11)18)13-8-10(16-17-13)6-7-15(19)20/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H,19,20)
InChIKeyHPGUWBLASUJUJD-UHFFFAOYSA-N
XLogP2.59
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
CID 12006818
2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid
CID 82487890
5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 82482196
2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid
CID 82304798
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
1-benzyl-3-(1-methylindol-3-yl)pyrazole-5-carbohydrazide
CID 66547513
1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 126806058
3-[4-[(Z)-(1-methylindol-3-yl)methylideneamino]-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl]propanoic acid
CID 110508208
5-(1-methylindol-3-yl)-1H-imidazole-2-carboxylic acid
CID 116884476
3-(7-chloro-1-methylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 115108158
3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole
CID 116896947

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid (CID 82487888) is 3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid is Cn1cc(-c2cc(CCC(=O)O)[nH]n2)c2ccccc21.
What is the InChIKey of 3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid?
The InChIKey is HPGUWBLASUJUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-18-9-12(11-4-2-3-5-14(11)18)13-8-10(16-17-13)6-7-15(19)20/h2-5,8-9H,6-7H2,1H3,(H,16,17)(H,19,20).
What are the key properties of 3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid?
3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid is sourced from PubChem (CID 82487888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).