N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylfuran-3-carboxamide

C15H11F2N3O2 — CID 52865335

IUPACN-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1
InChIInChI=1S/C15H11F2N3O2/c1-8-9(5-6-22-8)15(21)18-13-7-12(19-20-13)14-10(16)3-2-4-11(14)17/h2-7H,1H3,(H2,18,19,20,21)
InChIKeyPEWNIKYXTQLFJB-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.51
Rot. Bonds3

About N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylfuran-3-carboxamide

N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylfuran-3-carboxamide (PubChem CID 52865335) has the molecular formula C15H11F2N3O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylfuran-3-carboxamide
PubChem CID52865335
Molecular FormulaC15H11F2N3O2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC NameN-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1
InChIInChI=1S/C15H11F2N3O2/c1-8-9(5-6-22-8)15(21)18-13-7-12(19-20-13)14-10(16)3-2-4-11(14)17/h2-7H,1H3,(H2,18,19,20,21)
InChIKeyPEWNIKYXTQLFJB-UHFFFAOYSA-N
XLogP3.51
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylfuran-3-carboxamide (CID 52865335) is N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1.
What is the InChIKey of N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylfuran-3-carboxamide?
The InChIKey is PEWNIKYXTQLFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2/c1-8-9(5-6-22-8)15(21)18-13-7-12(19-20-13)14-10(16)3-2-4-11(14)17/h2-7H,1H3,(H2,18,19,20,21).
What are the key properties of N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylfuran-3-carboxamide?
N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylfuran-3-carboxamide has a molecular weight of 303.27 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 52865335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).