N-[2-(difluoromethoxy)-4-fluorophenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C15H10F3N3O3 — CID 19514095

IUPACN-[2-(difluoromethoxy)-4-fluorophenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1OC(F)F)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H10F3N3O3/c16-8-3-4-9(13(6-8)24-15(17)18)19-14(22)11-7-10(20-21-11)12-2-1-5-23-12/h1-7,15H,(H,19,22)(H,20,21)
InChIKeyRUIJYDDTTFLGCY-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.66
Rot. Bonds5

About N-[2-(difluoromethoxy)-4-fluorophenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[2-(difluoromethoxy)-4-fluorophenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 19514095) has the molecular formula C15H10F3N3O3 and a molecular weight of 337.26 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-fluorophenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-fluorophenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID19514095
Molecular FormulaC15H10F3N3O3
Molecular Weight337.26 g/mol
Exact Mass337.07
IUPAC NameN-[2-(difluoromethoxy)-4-fluorophenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1OC(F)F)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H10F3N3O3/c16-8-3-4-9(13(6-8)24-15(17)18)19-14(22)11-7-10(20-21-11)12-2-1-5-23-12/h1-7,15H,(H,19,22)(H,20,21)
InChIKeyRUIJYDDTTFLGCY-UHFFFAOYSA-N
XLogP3.66
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-furanyl)-1H-pyrazol-3-yl]-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 950682
5-(2-furyl)-1-(4-methoxy-phenyl)-3-(trifluoromethyl)-1H-pyrazole
CID 22240519
5-(furan-2-yl)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-1H-pyrazole-3-carboxamide
CID 11504199
5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide
CID 3649375
[4-(o-Fluorophenoxy)-1,4'-bipiperidyl-1'-yl][3-(2-furyl)-5-pyrazolyl]methanone
CID 86264459
5-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-3-carboxamide
CID 19513871
1-(4-fluorophenyl)-4-{[3-(2-furyl)-1H-pyrazol-5-yl]carbonyl}piperazine
CID 20906461
N-Benzyl-3-(furan-2-YL)-N-methyl-1H-pyrazole-5-carboxamide
CID 20918213
N-[2-(1-cyclohexen-1-yl)ethyl]-3-(5-methyl-2-furyl)-1H-pyrazole-5-carboxamide
CID 70781127
3-(furan-2-yl)-N-(2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 71793229
2-(2-fluorophenoxy)-N-((5-(furan-2-yl)-1-methyl-1H-pyrazol-3-yl)methyl)acetamide
CID 71797304
(3-(4-fluorophenyl)azepan-1-yl)(3-(furan-2-yl)-1H-pyrazol-5-yl)methanone
CID 76147191

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-fluorophenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-fluorophenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 19514095) is N-[2-(difluoromethoxy)-4-fluorophenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-fluorophenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-fluorophenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(F)cc1OC(F)F)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-fluorophenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is RUIJYDDTTFLGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3/c16-8-3-4-9(13(6-8)24-15(17)18)19-14(22)11-7-10(20-21-11)12-2-1-5-23-12/h1-7,15H,(H,19,22)(H,20,21).
What are the key properties of N-[2-(difluoromethoxy)-4-fluorophenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[2-(difluoromethoxy)-4-fluorophenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 337.26 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-fluorophenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19514095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).