5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C13H12FN3O2 — CID 126779485

IUPAC5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCn1cc(NC(=O)C2Cc3cc(F)ccc3O2)cn1
InChIInChI=1S/C13H12FN3O2/c1-17-7-10(6-15-17)16-13(18)12-5-8-4-9(14)2-3-11(8)19-12/h2-4,6-7,12H,5H2,1H3,(H,16,18)
InChIKeyPTFRFTBPJFAULV-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.50
Rot. Bonds2

About 5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 126779485) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID126779485
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCn1cc(NC(=O)C2Cc3cc(F)ccc3O2)cn1
InChIInChI=1S/C13H12FN3O2/c1-17-7-10(6-15-17)16-13(18)12-5-8-4-9(14)2-3-11(8)19-12/h2-4,6-7,12H,5H2,1H3,(H,16,18)
InChIKeyPTFRFTBPJFAULV-UHFFFAOYSA-N
XLogP1.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-chloro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 32606463
(2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51497719
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine
CID 79770126
(2R)-5-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 96519105
2-[3-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 124569905
(2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide
CID 175500710
N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 166224450
(2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 95739882
N-benzyl-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 146132730
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
5-fluoro-N-(4-hydroxy-2-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111447538
5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111696357

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 126779485) is 5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is Cn1cc(NC(=O)C2Cc3cc(F)ccc3O2)cn1.
What is the InChIKey of 5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is PTFRFTBPJFAULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-17-7-10(6-15-17)16-13(18)12-5-8-4-9(14)2-3-11(8)19-12/h2-4,6-7,12H,5H2,1H3,(H,16,18).
What are the key properties of 5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1-methylpyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126779485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).