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

C8H7FN4O — CID 130511213

IUPAC4-fluoro-6-(4-methoxypyrazol-1-yl)pyrimidine
SMILESCOc1cnn(-c2cc(F)ncn2)c1
InChIInChI=1S/C8H7FN4O/c1-14-6-3-12-13(4-6)8-2-7(9)10-5-11-8/h2-5H,1H3
InChIKeyKAGHJCKFCJJECR-UHFFFAOYSA-N
MW194.17 g/mol
LogP0.81
Rot. Bonds2

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

4-fluoro-6-(4-methoxypyrazol-1-yl)pyrimidine (PubChem CID 130511213) has the molecular formula C8H7FN4O and a molecular weight of 194.17 g/mol. Its IUPAC name is 4-fluoro-6-(4-methoxypyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(4-methoxypyrazol-1-yl)pyrimidine
PubChem CID130511213
Molecular FormulaC8H7FN4O
Molecular Weight194.17 g/mol
Exact Mass194.06
IUPAC Name4-fluoro-6-(4-methoxypyrazol-1-yl)pyrimidine
SMILESCOc1cnn(-c2cc(F)ncn2)c1
InChIInChI=1S/C8H7FN4O/c1-14-6-3-12-13(4-6)8-2-7(9)10-5-11-8/h2-5H,1H3
InChIKeyKAGHJCKFCJJECR-UHFFFAOYSA-N
XLogP0.81
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-Trifluoroethyl 2-[[4-(4-methoxypyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetate
CID 23545972
2,2,3,3,4,4,4-Heptafluorobutyl 2-[[4-(4-methoxypyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetate
CID 23545985
N-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)prop-2-enyl]-N-methyl-4-pyrazol-1-ylpyrimidin-2-amine
CID 142164715
N-methyl-4-pyrazol-1-yl-N-[2-(3,3,3-trifluoropropoxy)prop-2-enyl]pyrimidin-2-amine
CID 142164721
2-[2-(2,2,3,3,4,4,4-Heptafluorobutoxy)prop-2-enylsulfanyl]-4-(4-methoxypyrazol-1-yl)pyrimidine
CID 142164725
2-(4-Fluoropyrazol-1-yl)-6-methoxypyrazine
CID 169574321
5-Fluoro-2-methoxy-4-pyrazol-1-ylpyrimidine
CID 169574341
4-(4-Fluoropyrazol-1-yl)-2-methoxypyrimidine
CID 169574387
4-(4-Fluoropyrazol-1-yl)-6-methoxypyrimidine
CID 169574394
5-Fluoro-2-(methoxymethyl)-4-pyrazol-1-ylpyrimidine
CID 169574561
3-(4-Fluoropyrazol-1-yl)-6-methoxy-1,2,4-triazine
CID 169574943
2-(4-Fluoropyrazol-1-yl)-5-methoxypyrimidine
CID 169574962

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(4-methoxypyrazol-1-yl)pyrimidine?
The IUPAC name of 4-fluoro-6-(4-methoxypyrazol-1-yl)pyrimidine (CID 130511213) is 4-fluoro-6-(4-methoxypyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-(4-methoxypyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-fluoro-6-(4-methoxypyrazol-1-yl)pyrimidine is COc1cnn(-c2cc(F)ncn2)c1.
What is the InChIKey of 4-fluoro-6-(4-methoxypyrazol-1-yl)pyrimidine?
The InChIKey is KAGHJCKFCJJECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4O/c1-14-6-3-12-13(4-6)8-2-7(9)10-5-11-8/h2-5H,1H3.
What are the key properties of 4-fluoro-6-(4-methoxypyrazol-1-yl)pyrimidine?
4-fluoro-6-(4-methoxypyrazol-1-yl)pyrimidine has a molecular weight of 194.17 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(4-methoxypyrazol-1-yl)pyrimidine is sourced from PubChem (CID 130511213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).