N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]pyridazine-4-carboxamide

C15H14F3N3O2 — CID 99834163

IUPACN-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]pyridazine-4-carboxamide
SMILESCC(C)(NC(=O)c1ccnnc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O2/c1-14(2,21-13(22)10-7-8-19-20-9-10)11-3-5-12(6-4-11)23-15(16,17)18/h3-9H,1-2H3,(H,21,22)
InChIKeyMACLVAGVXJJSQY-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.04
Rot. Bonds4

About N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]pyridazine-4-carboxamide

N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]pyridazine-4-carboxamide (PubChem CID 99834163) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]pyridazine-4-carboxamide
PubChem CID99834163
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC NameN-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]pyridazine-4-carboxamide
SMILESCC(C)(NC(=O)c1ccnnc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O2/c1-14(2,21-13(22)10-7-8-19-20-9-10)11-3-5-12(6-4-11)23-15(16,17)18/h3-9H,1-2H3,(H,21,22)
InChIKeyMACLVAGVXJJSQY-UHFFFAOYSA-N
XLogP3.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 110444865
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 110442879
6-oxo-2-pyrimidin-2-yl-N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]-1H-pyrimidine-4-carboxamide
CID 137126229
N-(1-bromo-2-methylpropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116629348
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 64555572
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103602335
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
CID 47444755
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-(trifluoromethoxy)benzamide
CID 107868078
N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide
CID 2441416

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]pyridazine-4-carboxamide?
The IUPAC name of N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]pyridazine-4-carboxamide (CID 99834163) is N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]pyridazine-4-carboxamide?
The canonical SMILES for N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]pyridazine-4-carboxamide is CC(C)(NC(=O)c1ccnnc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]pyridazine-4-carboxamide?
The InChIKey is MACLVAGVXJJSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-14(2,21-13(22)10-7-8-19-20-9-10)11-3-5-12(6-4-11)23-15(16,17)18/h3-9H,1-2H3,(H,21,22).
What are the key properties of N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]pyridazine-4-carboxamide?
N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]pyridazine-4-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 99834163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).