N-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

C15H14FN3O2 — CID 115692460

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1cn[nH]c1NC(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C15H14FN3O2/c1-3-9-7-17-19-14(9)18-15(20)12-8(2)10-5-4-6-11(16)13(10)21-12/h4-7H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyZWXULQOIRDYMEK-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.42
Rot. Bonds3

About N-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 115692460) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID115692460
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1cn[nH]c1NC(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C15H14FN3O2/c1-3-9-7-17-19-14(9)18-15(20)12-8(2)10-5-4-6-11(16)13(10)21-12/h4-7H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyZWXULQOIRDYMEK-UHFFFAOYSA-N
XLogP3.42
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2,6-diethylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344914
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 46665379
N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115612802
7-fluoro-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 24655002
N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344598
N-[2-[(2S)-butan-2-yl]phenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344832
7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 43393388
7-fluoro-3-methyl-N-(2-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 9344647
(2S)-3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 107832842
N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 47439011
7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide
CID 115877896

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 115692460) is N-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is CCc1cn[nH]c1NC(=O)c1oc2c(F)cccc2c1C.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ZWXULQOIRDYMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-3-9-7-17-19-14(9)18-15(20)12-8(2)10-5-4-6-11(16)13(10)21-12/h4-7H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 115692460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).