N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

C11H15F3N4O — CID 43603369

IUPACN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(c1cn[nH]c1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)7-18(9-1-3-15-4-2-9)10(19)8-5-16-17-6-8/h5-6,9,15H,1-4,7H2,(H,16,17)
InChIKeyKHGJDLJALNVTQU-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.17
Rot. Bonds3

About N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 43603369) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID43603369
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(c1cn[nH]c1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)7-18(9-1-3-15-4-2-9)10(19)8-5-16-17-6-8/h5-6,9,15H,1-4,7H2,(H,16,17)
InChIKeyKHGJDLJALNVTQU-UHFFFAOYSA-N
XLogP1.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 43603369) is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is O=C(c1cn[nH]c1)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is KHGJDLJALNVTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)7-18(9-1-3-15-4-2-9)10(19)8-5-16-17-6-8/h5-6,9,15H,1-4,7H2,(H,16,17).
What are the key properties of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43603369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).