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

C15H11F2N3O3 — CID 19513944

IUPACN-[2-(difluoromethoxy)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H11F2N3O3/c16-15(17)23-13-5-2-1-4-9(13)18-14(21)11-8-10(19-20-11)12-6-3-7-22-12/h1-8,15H,(H,18,21)(H,19,20)
InChIKeyVTLZNHXOXZWIIV-UHFFFAOYSA-N
MW319.27 g/mol
LogP3.52
Rot. Bonds5

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

N-[2-(difluoromethoxy)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 19513944) has the molecular formula C15H11F2N3O3 and a molecular weight of 319.27 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID19513944
Molecular FormulaC15H11F2N3O3
Molecular Weight319.27 g/mol
Exact Mass319.08
IUPAC NameN-[2-(difluoromethoxy)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C15H11F2N3O3/c16-15(17)23-13-5-2-1-4-9(13)18-14(21)11-8-10(19-20-11)12-6-3-7-22-12/h1-8,15H,(H,18,21)(H,19,20)
InChIKeyVTLZNHXOXZWIIV-UHFFFAOYSA-N
XLogP3.52
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 19513944) is N-[2-(difluoromethoxy)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is O=C(Nc1ccccc1OC(F)F)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is VTLZNHXOXZWIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3/c16-15(17)23-13-5-2-1-4-9(13)18-14(21)11-8-10(19-20-11)12-6-3-7-22-12/h1-8,15H,(H,18,21)(H,19,20).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[2-(difluoromethoxy)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 319.27 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19513944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).