7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide

C12H8FN3O2 — CID 166214682

IUPAC7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H8FN3O2/c13-9-3-1-2-7-4-10(18-11(7)9)12(17)16-8-5-14-15-6-8/h1-6H,(H,14,15)(H,16,17)
InChIKeyKULPIQIPNUVKEY-UHFFFAOYSA-N
MW245.21 g/mol
LogP2.55
Rot. Bonds2

About 7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide

7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide (PubChem CID 166214682) has the molecular formula C12H8FN3O2 and a molecular weight of 245.21 g/mol. Its IUPAC name is 7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide
PubChem CID166214682
Molecular FormulaC12H8FN3O2
Molecular Weight245.21 g/mol
Exact Mass245.06
IUPAC Name7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H8FN3O2/c13-9-3-1-2-7-4-10(18-11(7)9)12(17)16-8-5-14-15-6-8/h1-6H,(H,14,15)(H,16,17)
InChIKeyKULPIQIPNUVKEY-UHFFFAOYSA-N
XLogP2.55
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
3-amino-N-(1H-pyrazol-4-yl)benzamide
CID 43539714
N-(2-fluorophenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48980668
1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-one
CID 114725241
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43429419
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 43429418
1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide
CID 62242496
7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide
CID 122300248
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
2,6-difluoro-3-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 82816091
1-(7-fluoro-1-benzofuran-2-yl)-4-methoxybutan-1-one
CID 114725347

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide (CID 166214682) is 7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide is O=C(Nc1cn[nH]c1)c1cc2cccc(F)c2o1.
What is the InChIKey of 7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide?
The InChIKey is KULPIQIPNUVKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O2/c13-9-3-1-2-7-4-10(18-11(7)9)12(17)16-8-5-14-15-6-8/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide?
7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide has a molecular weight of 245.21 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166214682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).