3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid

C13H12N6O2 — CID 65197494

IUPAC3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
SMILESCc1nn(C)cc1-c1nn(-c2ncccn2)cc1C(=O)O
InChIInChI=1S/C13H12N6O2/c1-8-9(6-18(2)16-8)11-10(12(20)21)7-19(17-11)13-14-4-3-5-15-13/h3-7H,1-2H3,(H,20,21)
InChIKeyZFLHKUZVEQRNQX-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.07
Rot. Bonds3

About 3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid

3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid (PubChem CID 65197494) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
PubChem CID65197494
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
SMILESCc1nn(C)cc1-c1nn(-c2ncccn2)cc1C(=O)O
InChIInChI=1S/C13H12N6O2/c1-8-9(6-18(2)16-8)11-10(12(20)21)7-19(17-11)13-14-4-3-5-15-13/h3-7H,1-2H3,(H,20,21)
InChIKeyZFLHKUZVEQRNQX-UHFFFAOYSA-N
XLogP1.07
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid (CID 65197494) is 3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid is Cc1nn(C)cc1-c1nn(-c2ncccn2)cc1C(=O)O.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid?
The InChIKey is ZFLHKUZVEQRNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-8-9(6-18(2)16-8)11-10(12(20)21)7-19(17-11)13-14-4-3-5-15-13/h3-7H,1-2H3,(H,20,21).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid?
3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid has a molecular weight of 284.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 65197494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).