1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide

C17H17F3N4O2 — CID 119138860

IUPAC1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide
SMILESNC(=O)c1cc(C(=O)N2CCC(C(F)(F)F)CC2)nn1-c1ccccc1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)11-6-8-23(9-7-11)16(26)13-10-14(15(21)25)24(22-13)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H2,21,25)
InChIKeyLBSZMKKVLIYYIS-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.39
Rot. Bonds3

About 1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide

1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide (PubChem CID 119138860) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide
PubChem CID119138860
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide
SMILESNC(=O)c1cc(C(=O)N2CCC(C(F)(F)F)CC2)nn1-c1ccccc1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)11-6-8-23(9-7-11)16(26)13-10-14(15(21)25)24(22-13)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H2,21,25)
InChIKeyLBSZMKKVLIYYIS-UHFFFAOYSA-N
XLogP2.39
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide?
The IUPAC name of 1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide (CID 119138860) is 1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide is NC(=O)c1cc(C(=O)N2CCC(C(F)(F)F)CC2)nn1-c1ccccc1.
What is the InChIKey of 1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide?
The InChIKey is LBSZMKKVLIYYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)11-6-8-23(9-7-11)16(26)13-10-14(15(21)25)24(22-13)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H2,21,25).
What are the key properties of 1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide?
1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide is sourced from PubChem (CID 119138860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).