1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid

C9H10N4O2 — CID 130678199

IUPAC1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
SMILESCn1nccc1-c1c(C(=O)O)cnn1C
InChIInChI=1S/C9H10N4O2/c1-12-7(3-4-10-12)8-6(9(14)15)5-11-13(8)2/h3-5H,1-2H3,(H,14,15)
InChIKeyNNRURCCBYDSABQ-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.52
Rot. Bonds2

About 1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid

1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid (PubChem CID 130678199) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
PubChem CID130678199
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
SMILESCn1nccc1-c1c(C(=O)O)cnn1C
InChIInChI=1S/C9H10N4O2/c1-12-7(3-4-10-12)8-6(9(14)15)5-11-13(8)2/h3-5H,1-2H3,(H,14,15)
InChIKeyNNRURCCBYDSABQ-UHFFFAOYSA-N
XLogP0.52
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 130711914
4-(2-methylpyrazol-3-yl)pyrimidine-5-carboxylic acid
CID 84672117
5-(6-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986454
1-methyl-5-pyridin-2-ylpyrazole-4-carboxylic acid
CID 83819574
5-amino-2-(2-methylpyrazol-3-yl)pyridine-3-carboxylic acid
CID 165484223
5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 115109340
2-fluoro-4-(2-methylpyrazol-3-yl)benzoic acid
CID 63961568
1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-4-carboxylic acid
CID 82294230
5-(3,5-difluorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 154381214
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
1-methyl-5-(3,4,5-trifluorophenyl)pyrazole-4-carboxylic acid
CID 167964096
1-methyl-5-(1-methylimidazol-4-yl)pyrazole-4-carboxylic acid
CID 127019917

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid (CID 130678199) is 1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid is Cn1nccc1-c1c(C(=O)O)cnn1C.
What is the InChIKey of 1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid?
The InChIKey is NNRURCCBYDSABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-12-7(3-4-10-12)8-6(9(14)15)5-11-13(8)2/h3-5H,1-2H3,(H,14,15).
What are the key properties of 1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid?
1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid has a molecular weight of 206.21 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 130678199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).