2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide

C16H13F2N3O3 — CID 71883351

IUPAC2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2c(O)cc(F)cc2F)o1
InChIInChI=1S/C16H13F2N3O3/c1-9-2-3-11(24-9)8-21-14(4-5-19-21)20-16(23)15-12(18)6-10(17)7-13(15)22/h2-7,22H,8H2,1H3,(H,20,23)
InChIKeyBQIBDZFFAORRPG-UHFFFAOYSA-N
MW333.29 g/mol
LogP3.07
Rot. Bonds4

About 2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide

2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide (PubChem CID 71883351) has the molecular formula C16H13F2N3O3 and a molecular weight of 333.29 g/mol. Its IUPAC name is 2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide
PubChem CID71883351
Molecular FormulaC16H13F2N3O3
Molecular Weight333.29 g/mol
Exact Mass333.09
IUPAC Name2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2c(O)cc(F)cc2F)o1
InChIInChI=1S/C16H13F2N3O3/c1-9-2-3-11(24-9)8-21-14(4-5-19-21)20-16(23)15-12(18)6-10(17)7-13(15)22/h2-7,22H,8H2,1H3,(H,20,23)
InChIKeyBQIBDZFFAORRPG-UHFFFAOYSA-N
XLogP3.07
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474664
2-ethoxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 8903088
2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 71885828
1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 99703802
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]acetamide
CID 9166056
1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea
CID 86800389
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-6-fluorobenzamide
CID 55435457
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 39834834
2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24793147
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 39834947
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 34074376
N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 4694399

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide (CID 71883351) is 2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide is Cc1ccc(Cn2nccc2NC(=O)c2c(O)cc(F)cc2F)o1.
What is the InChIKey of 2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is BQIBDZFFAORRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3/c1-9-2-3-11(24-9)8-21-14(4-5-19-21)20-16(23)15-12(18)6-10(17)7-13(15)22/h2-7,22H,8H2,1H3,(H,20,23).
What are the key properties of 2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide?
2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 333.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-hydroxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 71883351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).