(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone

C14H10ClFN2O2 — CID 105132457

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2c(Cl)cnn2C)oc2ccc(F)cc12
InChIInChI=1S/C14H10ClFN2O2/c1-7-9-5-8(16)3-4-11(9)20-14(7)13(19)12-10(15)6-17-18(12)2/h3-6H,1-2H3
InChIKeyWURSTSUEDPAFDE-UHFFFAOYSA-N
MW292.70 g/mol
LogP3.50
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 105132457) has the molecular formula C14H10ClFN2O2 and a molecular weight of 292.70 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID105132457
Molecular FormulaC14H10ClFN2O2
Molecular Weight292.70 g/mol
Exact Mass292.04
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)c2c(Cl)cnn2C)oc2ccc(F)cc12
InChIInChI=1S/C14H10ClFN2O2/c1-7-9-5-8(16)3-4-11(9)20-14(7)13(19)12-10(15)6-17-18(12)2/h3-6H,1-2H3
InChIKeyWURSTSUEDPAFDE-UHFFFAOYSA-N
XLogP3.50
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 105130270
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 79003791
(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 78907025
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(2-propylpyrazol-3-yl)methanone
CID 105099960
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 105122775
(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723135
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606798
(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723127
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-one
CID 105112935
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
CID 112723138
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062804
(3-chloro-4-fluorophenyl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 63549321

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone (CID 105132457) is (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)c2c(Cl)cnn2C)oc2ccc(F)cc12.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is WURSTSUEDPAFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2/c1-7-9-5-8(16)3-4-11(9)20-14(7)13(19)12-10(15)6-17-18(12)2/h3-6H,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 292.70 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 105132457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).