N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C21H19F3N4O3 — CID 24667518

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C21H19F3N4O3/c22-21(23,24)18-17(12-25-28(18)16-4-2-1-3-5-16)19(29)26-15-6-9-27(10-7-15)20(30)14-8-11-31-13-14/h1-5,8,11-13,15H,6-7,9-10H2,(H,26,29)
InChIKeyPNQACZIAUWCRTM-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.52
Rot. Bonds4

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 24667518) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID24667518
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C21H19F3N4O3/c22-21(23,24)18-17(12-25-28(18)16-4-2-1-3-5-16)19(29)26-15-6-9-27(10-7-15)20(30)14-8-11-31-13-14/h1-5,8,11-13,15H,6-7,9-10H2,(H,26,29)
InChIKeyPNQACZIAUWCRTM-UHFFFAOYSA-N
XLogP3.52
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 38215685
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 155530054
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
N-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 34424786
N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 141361774
N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 38215351
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide
CID 24660101
cis-(1S,3R)-3-[[1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676889
N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171681203
N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 55677812
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 38199441
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 38208260

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 24667518) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is PNQACZIAUWCRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c22-21(23,24)18-17(12-25-28(18)16-4-2-1-3-5-16)19(29)26-15-6-9-27(10-7-15)20(30)14-8-11-31-13-14/h1-5,8,11-13,15H,6-7,9-10H2,(H,26,29).
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 432.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24667518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).