2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid

C15H15N3O2 — CID 82487890

IUPAC2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid
SMILESCc1[nH]nc(-c2cn(C)c3ccccc23)c1CC(=O)O
InChIInChI=1S/C15H15N3O2/c1-9-11(7-14(19)20)15(17-16-9)12-8-18(2)13-6-4-3-5-10(12)13/h3-6,8H,7H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyITUMYZJSHHFIJE-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.50
Rot. Bonds3

About 2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid

2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid (PubChem CID 82487890) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid
PubChem CID82487890
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid
SMILESCc1[nH]nc(-c2cn(C)c3ccccc23)c1CC(=O)O
InChIInChI=1S/C15H15N3O2/c1-9-11(7-14(19)20)15(17-16-9)12-8-18(2)13-6-4-3-5-10(12)13/h3-6,8H,7H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyITUMYZJSHHFIJE-UHFFFAOYSA-N
XLogP2.50
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 82482196
3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid
CID 82487888
1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
CID 12006818
1-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 126806058
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,1-dimethylindole-3-carboxamide
CID 91797561
2-methoxy-N-[[2-methyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]methyl]acetamide
CID 92565431
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 90506349
1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole
CID 147456489
2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid
CID 82304798
2-[3-(4-oxo-3H-phthalazin-1-yl)indol-1-yl]acetic acid
CID 67316971
2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 82306655

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid (CID 82487890) is 2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid is Cc1[nH]nc(-c2cn(C)c3ccccc23)c1CC(=O)O.
What is the InChIKey of 2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid?
The InChIKey is ITUMYZJSHHFIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-11(7-14(19)20)15(17-16-9)12-8-18(2)13-6-4-3-5-10(12)13/h3-6,8H,7H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid?
2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid has a molecular weight of 269.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid is sourced from PubChem (CID 82487890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).