4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid

C9H7FN4O2 — CID 138493444

IUPAC4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1ncc(F)c(-c2cn[nH]c2C(=O)O)n1
InChIInChI=1S/C9H7FN4O2/c1-4-11-3-6(10)7(13-4)5-2-12-14-8(5)9(15)16/h2-3H,1H3,(H,12,14)(H,15,16)
InChIKeyKADIZGZKXYOZIS-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.01
Rot. Bonds2

About 4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid

4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 138493444) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID138493444
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1ncc(F)c(-c2cn[nH]c2C(=O)O)n1
InChIInChI=1S/C9H7FN4O2/c1-4-11-3-6(10)7(13-4)5-2-12-14-8(5)9(15)16/h2-3H,1H3,(H,12,14)(H,15,16)
InChIKeyKADIZGZKXYOZIS-UHFFFAOYSA-N
XLogP1.01
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid (CID 138493444) is 4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid is Cc1ncc(F)c(-c2cn[nH]c2C(=O)O)n1.
What is the InChIKey of 4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is KADIZGZKXYOZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2/c1-4-11-3-6(10)7(13-4)5-2-12-14-8(5)9(15)16/h2-3H,1H3,(H,12,14)(H,15,16).
What are the key properties of 4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid?
4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 222.18 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 138493444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).