5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid

C15H14N4O2 — CID 20983231

IUPAC5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
SMILESCc1ccc(C)n1-c1c(C(=O)O)cnn1-c1ccncc1
InChIInChI=1S/C15H14N4O2/c1-10-3-4-11(2)18(10)14-13(15(20)21)9-17-19(14)12-5-7-16-8-6-12/h3-9H,1-2H3,(H,20,21)
InChIKeyKCMGBLJKLKTTIQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.37
Rot. Bonds3

About 5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid

5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid (PubChem CID 20983231) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
PubChem CID20983231
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
SMILESCc1ccc(C)n1-c1c(C(=O)O)cnn1-c1ccncc1
InChIInChI=1S/C15H14N4O2/c1-10-3-4-11(2)18(10)14-13(15(20)21)9-17-19(14)12-5-7-16-8-6-12/h3-9H,1-2H3,(H,20,21)
InChIKeyKCMGBLJKLKTTIQ-UHFFFAOYSA-N
XLogP2.37
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methoxyethyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 170167757
1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid
CID 20855127
1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 2765904
6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid
CID 171474840
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 46261236
5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
CID 115034303
1-(4-tert-butylphenyl)-5-methylpyrazole-4-carboxylic acid
CID 82089556
adamantane;5-(2-methylpyrrolidin-1-yl)-1-phenylpyrazole-4-carboxylic acid
CID 158429025
1-[4-(carboxymethyl)phenyl]-5-methylpyrazole-4-carboxylic acid
CID 82361094
3-trimethylsilylpyridine-4-carboxylic acid
CID 14673408
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
1-(4-chlorophenyl)-5-piperazin-1-ylpyrazole-4-carboxylic acid
CID 71564714

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid (CID 20983231) is 5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid is Cc1ccc(C)n1-c1c(C(=O)O)cnn1-c1ccncc1.
What is the InChIKey of 5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid?
The InChIKey is KCMGBLJKLKTTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-3-4-11(2)18(10)14-13(15(20)21)9-17-19(14)12-5-7-16-8-6-12/h3-9H,1-2H3,(H,20,21).
What are the key properties of 5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid?
5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 20983231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).