4-(2-fluoro-6-methoxyphenyl)-6-pyrazol-1-ylpyrimidine

C14H11FN4O — CID 39826223

IUPAC4-(2-fluoro-6-methoxyphenyl)-6-pyrazol-1-ylpyrimidine
SMILESCOc1cccc(F)c1-c1cc(-n2cccn2)ncn1
InChIInChI=1S/C14H11FN4O/c1-20-12-5-2-4-10(15)14(12)11-8-13(17-9-16-11)19-7-3-6-18-19/h2-9H,1H3
InChIKeyGJZNYXQPTVJOOK-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.48
Rot. Bonds3

About 4-(2-fluoro-6-methoxyphenyl)-6-pyrazol-1-ylpyrimidine

4-(2-fluoro-6-methoxyphenyl)-6-pyrazol-1-ylpyrimidine (PubChem CID 39826223) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxyphenyl)-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-(2-fluoro-6-methoxyphenyl)-6-pyrazol-1-ylpyrimidine
PubChem CID39826223
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name4-(2-fluoro-6-methoxyphenyl)-6-pyrazol-1-ylpyrimidine
SMILESCOc1cccc(F)c1-c1cc(-n2cccn2)ncn1
InChIInChI=1S/C14H11FN4O/c1-20-12-5-2-4-10(15)14(12)11-8-13(17-9-16-11)19-7-3-6-18-19/h2-9H,1H3
InChIKeyGJZNYXQPTVJOOK-UHFFFAOYSA-N
XLogP2.48
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-6-pyrazol-1-ylpyrimidine (CID 39826223) is 4-(2-fluoro-6-methoxyphenyl)-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-(2-fluoro-6-methoxyphenyl)-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-(2-fluoro-6-methoxyphenyl)-6-pyrazol-1-ylpyrimidine is COc1cccc(F)c1-c1cc(-n2cccn2)ncn1.
What is the InChIKey of 4-(2-fluoro-6-methoxyphenyl)-6-pyrazol-1-ylpyrimidine?
The InChIKey is GJZNYXQPTVJOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-20-12-5-2-4-10(15)14(12)11-8-13(17-9-16-11)19-7-3-6-18-19/h2-9H,1H3.
What are the key properties of 4-(2-fluoro-6-methoxyphenyl)-6-pyrazol-1-ylpyrimidine?
4-(2-fluoro-6-methoxyphenyl)-6-pyrazol-1-ylpyrimidine has a molecular weight of 270.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methoxyphenyl)-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 39826223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).