N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H19F3N4O2 — CID 71998432

IUPACN-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C14H19F3N4O2/c1-2-20(9-14(15,16)17)12(22)10-4-3-7-21(8-10)13(23)11-5-6-18-19-11/h5-6,10H,2-4,7-9H2,1H3,(H,18,19)
InChIKeyNYPYEPQKYGWNFT-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.67
Rot. Bonds4

About N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71998432) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71998432
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC NameN-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C14H19F3N4O2/c1-2-20(9-14(15,16)17)12(22)10-4-3-7-21(8-10)13(23)11-5-6-18-19-11/h5-6,10H,2-4,7-9H2,1H3,(H,18,19)
InChIKeyNYPYEPQKYGWNFT-UHFFFAOYSA-N
XLogP1.67
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71998432) is N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)c2ccn[nH]2)C1.
What is the InChIKey of N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is NYPYEPQKYGWNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-2-20(9-14(15,16)17)12(22)10-4-3-7-21(8-10)13(23)11-5-6-18-19-11/h5-6,10H,2-4,7-9H2,1H3,(H,18,19).
What are the key properties of N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1H-pyrazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71998432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).