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

C12H11FN2O — CID 65195470

IUPAC(5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone
SMILESCc1ccc(F)cc1C(=O)c1ccn(C)n1
InChIInChI=1S/C12H11FN2O/c1-8-3-4-9(13)7-10(8)12(16)11-5-6-15(2)14-11/h3-7H,1-2H3
InChIKeyXEWJUJOCNXCXLR-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.10
Rot. Bonds2

About (5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone

(5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone (PubChem CID 65195470) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone
PubChem CID65195470
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name(5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone
SMILESCc1ccc(F)cc1C(=O)c1ccn(C)n1
InChIInChI=1S/C12H11FN2O/c1-8-3-4-9(13)7-10(8)12(16)11-5-6-15(2)14-11/h3-7H,1-2H3
InChIKeyXEWJUJOCNXCXLR-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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Related Compounds

(2-amino-5-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103130515
(5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone
CID 105095344
(5-fluoro-2-methylphenyl)-(2-phenyltriazol-4-yl)methanone
CID 105095437
(2-methoxy-5-methylphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195748
(2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195527
(2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103133443
(4-fluoro-2-methylphenyl)-(1-phenylpyrazol-3-yl)methanone
CID 105095655
(2-iodophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103133832
[2-(difluoromethoxy)phenyl]-(1-methylpyrazol-3-yl)methanone
CID 103133837
2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone
CID 65195468
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 106761788
(1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone
CID 62387419

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone (CID 65195470) is (5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone is Cc1ccc(F)cc1C(=O)c1ccn(C)n1.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone?
The InChIKey is XEWJUJOCNXCXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-8-3-4-9(13)7-10(8)12(16)11-5-6-15(2)14-11/h3-7H,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone?
(5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-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 (5-fluoro-2-methylphenyl)-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 65195470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).