N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

C11H15F3N4O — CID 114908773

IUPACN-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCn1nccc1NC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C11H15F3N4O/c1-18-9(4-5-16-18)17-10(19)8-3-2-7(6-15-8)11(12,13)14/h4-5,7-8,15H,2-3,6H2,1H3,(H,17,19)
InChIKeyBDFFNSMGPNRZNK-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.29
Rot. Bonds2

About N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908773) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908773
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCn1nccc1NC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C11H15F3N4O/c1-18-9(4-5-16-18)17-10(19)8-3-2-7(6-15-8)11(12,13)14/h4-5,7-8,15H,2-3,6H2,1H3,(H,17,19)
InChIKeyBDFFNSMGPNRZNK-UHFFFAOYSA-N
XLogP1.29
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908773) is N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is Cn1nccc1NC(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is BDFFNSMGPNRZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-18-9(4-5-16-18)17-10(19)8-3-2-7(6-15-8)11(12,13)14/h4-5,7-8,15H,2-3,6H2,1H3,(H,17,19).
What are the key properties of N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).