1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole

C15H14F2N4 — CID 58130226

IUPAC1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2cc(-c3nccn3C)c(F)cc2F)n1
InChIInChI=1S/C15H14F2N4/c1-9-6-10(2)21(19-9)14-7-11(12(16)8-13(14)17)15-18-4-5-20(15)3/h4-8H,1-3H3
InChIKeyGAFFMUVLEVRNIP-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.17
Rot. Bonds2

About 1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole

1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole (PubChem CID 58130226) has the molecular formula C15H14F2N4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole
PubChem CID58130226
Molecular FormulaC15H14F2N4
Molecular Weight288.30 g/mol
Exact Mass288.12
IUPAC Name1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2cc(-c3nccn3C)c(F)cc2F)n1
InChIInChI=1S/C15H14F2N4/c1-9-6-10(2)21(19-9)14-7-11(12(16)8-13(14)17)15-18-4-5-20(15)3/h4-8H,1-3H3
InChIKeyGAFFMUVLEVRNIP-UHFFFAOYSA-N
XLogP3.17
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole (CID 58130226) is 1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole is Cc1cc(C)n(-c2cc(-c3nccn3C)c(F)cc2F)n1.
What is the InChIKey of 1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole?
The InChIKey is GAFFMUVLEVRNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4/c1-9-6-10(2)21(19-9)14-7-11(12(16)8-13(14)17)15-18-4-5-20(15)3/h4-8H,1-3H3.
What are the key properties of 1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole?
1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole has a molecular weight of 288.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-difluoro-5-(1-methylimidazol-2-yl)phenyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 58130226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).