1-ethyl-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)pyrazole-3-carboxamide

C14H14FN3O2 — CID 138002257

IUPAC1-ethyl-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2COc3ccc(F)cc32)n1
InChIInChI=1S/C14H14FN3O2/c1-2-18-6-5-11(17-18)14(19)16-12-8-20-13-4-3-9(15)7-10(12)13/h3-7,12H,2,8H2,1H3,(H,16,19)
InChIKeyWZZMEWGQDHFNEN-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.91
Rot. Bonds3

About 1-ethyl-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)pyrazole-3-carboxamide

1-ethyl-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)pyrazole-3-carboxamide (PubChem CID 138002257) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-ethyl-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)pyrazole-3-carboxamide
PubChem CID138002257
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name1-ethyl-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2COc3ccc(F)cc32)n1
InChIInChI=1S/C14H14FN3O2/c1-2-18-6-5-11(17-18)14(19)16-12-8-20-13-4-3-9(15)7-10(12)13/h3-7,12H,2,8H2,1H3,(H,16,19)
InChIKeyWZZMEWGQDHFNEN-UHFFFAOYSA-N
XLogP1.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazole-3-carboxamide
CID 138004756
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide
CID 110475783
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)cyclopentanecarboxamide
CID 110475821
N-[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-2H-triazole-4-carboxamide
CID 94197661
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 70687594
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 167986981
4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 110750983
N-[(1R,5S)-8-(1-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 91912186
1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide
CID 146043892
N,1-diethylpyrazole-3-carboxamide
CID 19262384
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-ethylpyrazole-3-carboxamide
CID 43972265
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide
CID 110750976

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)pyrazole-3-carboxamide (CID 138002257) is 1-ethyl-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)pyrazole-3-carboxamide is CCn1ccc(C(=O)NC2COc3ccc(F)cc32)n1.
What is the InChIKey of 1-ethyl-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)pyrazole-3-carboxamide?
The InChIKey is WZZMEWGQDHFNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-2-18-6-5-11(17-18)14(19)16-12-8-20-13-4-3-9(15)7-10(12)13/h3-7,12H,2,8H2,1H3,(H,16,19).
What are the key properties of 1-ethyl-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)pyrazole-3-carboxamide?
1-ethyl-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)pyrazole-3-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 138002257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).