N-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]furan-3-carboxamide

C16H10F3N3O2 — CID 178030091

IUPACN-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]furan-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2C(F)(F)F)nn1)c1ccoc1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)12-4-2-1-3-11(12)13-5-6-14(22-21-13)20-15(23)10-7-8-24-9-10/h1-9H,(H,20,22,23)
InChIKeyQZRKREXXMMVBSQ-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.01
Rot. Bonds3

About N-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]furan-3-carboxamide

N-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]furan-3-carboxamide (PubChem CID 178030091) has the molecular formula C16H10F3N3O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]furan-3-carboxamide
PubChem CID178030091
Molecular FormulaC16H10F3N3O2
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC NameN-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]furan-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2C(F)(F)F)nn1)c1ccoc1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)12-4-2-1-3-11(12)13-5-6-14(22-21-13)20-15(23)10-7-8-24-9-10/h1-9H,(H,20,22,23)
InChIKeyQZRKREXXMMVBSQ-UHFFFAOYSA-N
XLogP4.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]hydrazine
CID 62041944
N-[6-(6-amino-3-pyridinyl)pyridazin-3-yl]furan-3-carboxamide
CID 178030263
N-[6-(4-methoxyphenyl)pyridazin-3-yl]furan-3-carboxamide
CID 178030247
N-[6-(2-hydroxyphenyl)pyridazin-3-yl]acetamide
CID 137045892
N-(6-phenylpyridazin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122143388
N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118453548
6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 24729991
N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 47343702
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 38215685
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102049
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)furan-3-carboxamide
CID 121149015

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]furan-3-carboxamide?
The IUPAC name of N-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]furan-3-carboxamide (CID 178030091) is N-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]furan-3-carboxamide is O=C(Nc1ccc(-c2ccccc2C(F)(F)F)nn1)c1ccoc1.
What is the InChIKey of N-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]furan-3-carboxamide?
The InChIKey is QZRKREXXMMVBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2/c17-16(18,19)12-4-2-1-3-11(12)13-5-6-14(22-21-13)20-15(23)10-7-8-24-9-10/h1-9H,(H,20,22,23).
What are the key properties of N-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]furan-3-carboxamide?
N-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]furan-3-carboxamide has a molecular weight of 333.27 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]furan-3-carboxamide is sourced from PubChem (CID 178030091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).