1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid

C15H16N6O2 — CID 71564138

IUPAC1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid
SMILESCCc1cc(-n2ccc(C(=O)O)n2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C15H16N6O2/c1-4-11-8-13(20-6-5-12(19-20)14(22)23)17-15(16-11)21-10(3)7-9(2)18-21/h5-8H,4H2,1-3H3,(H,22,23)
InChIKeyJUDCDTLMIONAKN-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.73
Rot. Bonds4

About 1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid

1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid (PubChem CID 71564138) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid
PubChem CID71564138
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid
SMILESCCc1cc(-n2ccc(C(=O)O)n2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C15H16N6O2/c1-4-11-8-13(20-6-5-12(19-20)14(22)23)17-15(16-11)21-10(3)7-9(2)18-21/h5-8H,4H2,1-3H3,(H,22,23)
InChIKeyJUDCDTLMIONAKN-UHFFFAOYSA-N
XLogP1.73
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid (CID 71564138) is 1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid is CCc1cc(-n2ccc(C(=O)O)n2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid?
The InChIKey is JUDCDTLMIONAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-4-11-8-13(20-6-5-12(19-20)14(22)23)17-15(16-11)21-10(3)7-9(2)18-21/h5-8H,4H2,1-3H3,(H,22,23).
What are the key properties of 1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid?
1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid has a molecular weight of 312.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpyrazol-1-yl)-6-ethylpyrimidin-4-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 71564138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).