(2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone

C12H11FN2O — CID 114963984

IUPAC(2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone
SMILESCc1cccc(C(=O)c2cnn(C)c2)c1F
InChIInChI=1S/C12H11FN2O/c1-8-4-3-5-10(11(8)13)12(16)9-6-14-15(2)7-9/h3-7H,1-2H3
InChIKeyIZYLFBMFJPAPJY-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.10
Rot. Bonds2

About (2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone

(2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 114963984) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone
PubChem CID114963984
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name(2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone
SMILESCc1cccc(C(=O)c2cnn(C)c2)c1F
InChIInChI=1S/C12H11FN2O/c1-8-4-3-5-10(11(8)13)12(16)9-6-14-15(2)7-9/h3-7H,1-2H3
InChIKeyIZYLFBMFJPAPJY-UHFFFAOYSA-N
XLogP2.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone (CID 114963984) is (2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone is Cc1cccc(C(=O)c2cnn(C)c2)c1F.
What is the InChIKey of (2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is IZYLFBMFJPAPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-8-4-3-5-10(11(8)13)12(16)9-6-14-15(2)7-9/h3-7H,1-2H3.
What are the key properties of (2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone?
(2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone has a molecular weight of 218.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 114963984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).