5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid

C14H13N3O2 — CID 82482196

IUPAC5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(-c2cn(C)c3ccccc23)c1C(=O)O
InChIInChI=1S/C14H13N3O2/c1-8-12(14(18)19)13(16-15-8)10-7-17(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3,(H,15,16)(H,18,19)
InChIKeyUUAIDMSFIGNXIR-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.58
Rot. Bonds2

About 5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid

5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid (PubChem CID 82482196) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid
PubChem CID82482196
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(-c2cn(C)c3ccccc23)c1C(=O)O
InChIInChI=1S/C14H13N3O2/c1-8-12(14(18)19)13(16-15-8)10-7-17(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3,(H,15,16)(H,18,19)
InChIKeyUUAIDMSFIGNXIR-UHFFFAOYSA-N
XLogP2.58
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid
CID 82487890
1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
CID 12006818
2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid
CID 82304798
5-(1-methylindol-3-yl)-1H-imidazole-2-carboxylic acid
CID 116884476
2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 82306655
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole
CID 147456489
3-[3-(1-methylindol-3-yl)-1H-pyrazol-5-yl]propanoic acid
CID 82487888
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-methylphenyl)indole
CID 58931542
2-(1-methylindol-3-yl)phenol
CID 154709769
N-methyl-4-(1-methylindol-3-yl)pyrimidine-5-carboxamide
CID 162767566

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid (CID 82482196) is 5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid is Cc1[nH]nc(-c2cn(C)c3ccccc23)c1C(=O)O.
What is the InChIKey of 5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is UUAIDMSFIGNXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8-12(14(18)19)13(16-15-8)10-7-17(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid?
5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 82482196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).