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

C15H12ClFN2O2 — CID 105130270

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H12ClFN2O2/c1-3-19-13(11(16)7-18-19)14(20)15-8(2)10-6-9(17)4-5-12(10)21-15/h4-7H,3H2,1-2H3
InChIKeyCBCVNWWKCNPGEU-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.98
Rot. Bonds3

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

(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 105130270) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID105130270
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H12ClFN2O2/c1-3-19-13(11(16)7-18-19)14(20)15-8(2)10-6-9(17)4-5-12(10)21-15/h4-7H,3H2,1-2H3
InChIKeyCBCVNWWKCNPGEU-UHFFFAOYSA-N
XLogP3.98
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 105132457
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(2-propylpyrazol-3-yl)methanone
CID 105099960
(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 78907025
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 79003791
(4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105130288
(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 105130272
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115803927
(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
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 107891205
(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

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone (CID 105130270) is (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone is CCn1ncc(Cl)c1C(=O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is CBCVNWWKCNPGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c1-3-19-13(11(16)7-18-19)14(20)15-8(2)10-6-9(17)4-5-12(10)21-15/h4-7H,3H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 306.72 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 105130270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).