(3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone

C12H11FN2O — CID 685736

IUPAC(3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone
SMILESCc1cc(C)n(C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2O/c1-8-7-9(2)15(14-8)12(16)10-3-5-11(13)6-4-10/h3-7H,1-2H3
InChIKeyGNBRBWAIBHANHJ-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.33
Rot. Bonds1

About (3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone

(3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone (PubChem CID 685736) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone
PubChem CID685736
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone
SMILESCc1cc(C)n(C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2O/c1-8-7-9(2)15(14-8)12(16)10-3-5-11(13)6-4-10/h3-7H,1-2H3
InChIKeyGNBRBWAIBHANHJ-UHFFFAOYSA-N
XLogP2.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone (CID 685736) is (3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone is Cc1cc(C)n(C(=O)c2ccc(F)cc2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone?
The InChIKey is GNBRBWAIBHANHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-8-7-9(2)15(14-8)12(16)10-3-5-11(13)6-4-10/h3-7H,1-2H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone?
(3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone has a molecular weight of 218.23 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 685736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).