4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine

C8H7FN4 — CID 115417252

IUPAC4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine
SMILESCc1cnn(-c2cc(F)ncn2)c1
InChIInChI=1S/C8H7FN4/c1-6-3-12-13(4-6)8-2-7(9)10-5-11-8/h2-5H,1H3
InChIKeyOJKIEICSSHVBSU-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.11
Rot. Bonds1

About 4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine

4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine (PubChem CID 115417252) has the molecular formula C8H7FN4 and a molecular weight of 178.17 g/mol. Its IUPAC name is 4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine
PubChem CID115417252
Molecular FormulaC8H7FN4
Molecular Weight178.17 g/mol
Exact Mass178.07
IUPAC Name4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine
SMILESCc1cnn(-c2cc(F)ncn2)c1
InChIInChI=1S/C8H7FN4/c1-6-3-12-13(4-6)8-2-7(9)10-5-11-8/h2-5H,1H3
InChIKeyOJKIEICSSHVBSU-UHFFFAOYSA-N
XLogP1.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine (CID 115417252) is 4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine is Cc1cnn(-c2cc(F)ncn2)c1.
What is the InChIKey of 4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine?
The InChIKey is OJKIEICSSHVBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4/c1-6-3-12-13(4-6)8-2-7(9)10-5-11-8/h2-5H,1H3.
What are the key properties of 4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine?
4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine has a molecular weight of 178.17 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 115417252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).