1-(2-anilino-6-ethylpyrimidin-4-yl)pyrazole-3-carboxylic acid

C16H15N5O2 — CID 71564298

IUPAC1-(2-anilino-6-ethylpyrimidin-4-yl)pyrazole-3-carboxylic acid
SMILESCCc1cc(-n2ccc(C(=O)O)n2)nc(Nc2ccccc2)n1
InChIInChI=1S/C16H15N5O2/c1-2-11-10-14(21-9-8-13(20-21)15(22)23)19-16(17-11)18-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,22,23)(H,17,18,19)
InChIKeyWRKDTNMBNWIUDJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.67
Rot. Bonds5

About 1-(2-anilino-6-ethylpyrimidin-4-yl)pyrazole-3-carboxylic acid

1-(2-anilino-6-ethylpyrimidin-4-yl)pyrazole-3-carboxylic acid (PubChem CID 71564298) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-(2-anilino-6-ethylpyrimidin-4-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-anilino-6-ethylpyrimidin-4-yl)pyrazole-3-carboxylic acid
PubChem CID71564298
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name1-(2-anilino-6-ethylpyrimidin-4-yl)pyrazole-3-carboxylic acid
SMILESCCc1cc(-n2ccc(C(=O)O)n2)nc(Nc2ccccc2)n1
InChIInChI=1S/C16H15N5O2/c1-2-11-10-14(21-9-8-13(20-21)15(22)23)19-16(17-11)18-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,22,23)(H,17,18,19)
InChIKeyWRKDTNMBNWIUDJ-UHFFFAOYSA-N
XLogP2.67
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-anilino-6-ethylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-anilino-6-ethylpyrimidin-4-yl)pyrazole-3-carboxylic acid (CID 71564298) is 1-(2-anilino-6-ethylpyrimidin-4-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-anilino-6-ethylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-anilino-6-ethylpyrimidin-4-yl)pyrazole-3-carboxylic acid is CCc1cc(-n2ccc(C(=O)O)n2)nc(Nc2ccccc2)n1.
What is the InChIKey of 1-(2-anilino-6-ethylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The InChIKey is WRKDTNMBNWIUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-2-11-10-14(21-9-8-13(20-21)15(22)23)19-16(17-11)18-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,22,23)(H,17,18,19).
What are the key properties of 1-(2-anilino-6-ethylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
1-(2-anilino-6-ethylpyrimidin-4-yl)pyrazole-3-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-6-ethylpyrimidin-4-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 71564298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).