5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide

C20H19FN4O3 — CID 16613697

IUPAC5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)CC1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O3/c21-14-5-3-13(4-6-14)18-16(12-22-24-18)19(26)23-15-7-9-25(10-8-15)20(27)17-2-1-11-28-17/h1-6,11-12,15H,7-10H2,(H,22,24)(H,23,26)
InChIKeyYJRVLGPLOJPIFE-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.84
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide

5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 16613697) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID16613697
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)CC1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O3/c21-14-5-3-13(4-6-14)18-16(12-22-24-18)19(26)23-15-7-9-25(10-8-15)20(27)17-2-1-11-28-17/h1-6,11-12,15H,7-10H2,(H,22,24)(H,23,26)
InChIKeyYJRVLGPLOJPIFE-UHFFFAOYSA-N
XLogP2.84
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136514589
5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 24595329
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 134000355
2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 46341484
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide
CID 46585539
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 24660721
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 119376653
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide
CID 134000252
3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 167769135

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide (CID 16613697) is 5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide is O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is YJRVLGPLOJPIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-14-5-3-13(4-6-14)18-16(12-22-24-18)19(26)23-15-7-9-25(10-8-15)20(27)17-2-1-11-28-17/h1-6,11-12,15H,7-10H2,(H,22,24)(H,23,26).
What are the key properties of 5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 16613697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).