2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide

C20H13F2N3O2 — CID 42687666

IUPAC2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide
SMILESO=C(Nc1c(-c2ccccc2)n[nH]c1-c1ccco1)c1c(F)cccc1F
InChIInChI=1S/C20H13F2N3O2/c21-13-8-4-9-14(22)16(13)20(26)23-19-17(12-6-2-1-3-7-12)24-25-18(19)15-10-5-11-27-15/h1-11H,(H,23,26)(H,24,25)
InChIKeyAQHFSMKYASRXGJ-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.87
Rot. Bonds4

About 2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide

2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide (PubChem CID 42687666) has the molecular formula C20H13F2N3O2 and a molecular weight of 365.34 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide
PubChem CID42687666
Molecular FormulaC20H13F2N3O2
Molecular Weight365.34 g/mol
Exact Mass365.10
IUPAC Name2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide
SMILESO=C(Nc1c(-c2ccccc2)n[nH]c1-c1ccco1)c1c(F)cccc1F
InChIInChI=1S/C20H13F2N3O2/c21-13-8-4-9-14(22)16(13)20(26)23-19-17(12-6-2-1-3-7-12)24-25-18(19)15-10-5-11-27-15/h1-11H,(H,23,26)(H,24,25)
InChIKeyAQHFSMKYASRXGJ-UHFFFAOYSA-N
XLogP4.87
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide
CID 42687656
N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42687652
2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide
CID 136615236
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
CID 43546935
N-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
CID 42686730
N-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide
CID 42687176
2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide
CID 58487193
3-(furan-2-yl)-5-methyl-N-(2-methylphenyl)-1H-pyrazole-4-carboxamide
CID 110682318
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-6-methoxybenzamide
CID 142440100
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686892
[3-(furan-2-yl)-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl]urea
CID 5329658
N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790637

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide (CID 42687666) is 2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide is O=C(Nc1c(-c2ccccc2)n[nH]c1-c1ccco1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide?
The InChIKey is AQHFSMKYASRXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2/c21-13-8-4-9-14(22)16(13)20(26)23-19-17(12-6-2-1-3-7-12)24-25-18(19)15-10-5-11-27-15/h1-11H,(H,23,26)(H,24,25).
What are the key properties of 2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide?
2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide has a molecular weight of 365.34 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 42687666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).