1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C16H17F3N4O3 — CID 36888224

IUPAC1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C16H17F3N4O3/c17-16(18,19)9-20-14(24)10-3-5-23(6-4-10)15(25)12-8-11(21-22-12)13-2-1-7-26-13/h1-2,7-8,10H,3-6,9H2,(H,20,24)(H,21,22)
InChIKeyAOLCJGQITMIYER-UHFFFAOYSA-N
MW370.33 g/mol
LogP2.20
Rot. Bonds4

About 1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 36888224) has the molecular formula C16H17F3N4O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID36888224
Molecular FormulaC16H17F3N4O3
Molecular Weight370.33 g/mol
Exact Mass370.13
IUPAC Name1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C16H17F3N4O3/c17-16(18,19)9-20-14(24)10-3-5-23(6-4-10)15(25)12-8-11(21-22-12)13-2-1-7-26-13/h1-2,7-8,10H,3-6,9H2,(H,20,24)(H,21,22)
InChIKeyAOLCJGQITMIYER-UHFFFAOYSA-N
XLogP2.20
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 36888224) is 1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(NCC(F)(F)F)C1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1.
What is the InChIKey of 1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is AOLCJGQITMIYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3/c17-16(18,19)9-20-14(24)10-3-5-23(6-4-10)15(25)12-8-11(21-22-12)13-2-1-7-26-13/h1-2,7-8,10H,3-6,9H2,(H,20,24)(H,21,22).
What are the key properties of 1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 370.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 36888224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).