4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine

C15H13FN4 — CID 66503240

IUPAC4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine
SMILESCc1nccc(-c2cn(-c3cccc(F)c3)nc2C)n1
InChIInChI=1S/C15H13FN4/c1-10-14(15-6-7-17-11(2)18-15)9-20(19-10)13-5-3-4-12(16)8-13/h3-9H,1-2H3
InChIKeyAFIPZYHVXNADRE-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.09
Rot. Bonds2

About 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine

4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine (PubChem CID 66503240) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine
PubChem CID66503240
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine
SMILESCc1nccc(-c2cn(-c3cccc(F)c3)nc2C)n1
InChIInChI=1S/C15H13FN4/c1-10-14(15-6-7-17-11(2)18-15)9-20(19-10)13-5-3-4-12(16)8-13/h3-9H,1-2H3
InChIKeyAFIPZYHVXNADRE-UHFFFAOYSA-N
XLogP3.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidine
CID 66502793
4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 66503231
1-(3-fluorophenyl)-3-methylpyrazol-4-amine
CID 83222800
[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol
CID 84617796
4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 66503038
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidine
CID 66503039
1-(3-fluorophenyl)-4-methylpyrazol-3-amine
CID 62677931
N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
CID 66502909
2-[[5-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetic acid
CID 162731593
3-tert-butyl-1-(3-fluorophenyl)-1,2,4-triazole
CID 146480400
N-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine
CID 10177126
4-(2-fluoro-4-methylphenyl)-2-methylpyrimidine
CID 177157119

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine?
The IUPAC name of 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine (CID 66503240) is 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine?
The canonical SMILES for 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine is Cc1nccc(-c2cn(-c3cccc(F)c3)nc2C)n1.
What is the InChIKey of 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine?
The InChIKey is AFIPZYHVXNADRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c1-10-14(15-6-7-17-11(2)18-15)9-20(19-10)13-5-3-4-12(16)8-13/h3-9H,1-2H3.
What are the key properties of 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine?
4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine has a molecular weight of 268.30 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]-2-methylpyrimidine is sourced from PubChem (CID 66503240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).