N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide

C13H19F3N4O — CID 106048127

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCc1c(CNC(=O)C2CCC(C(F)(F)F)CN2)cnn1C
InChIInChI=1S/C13H19F3N4O/c1-8-9(6-19-20(8)2)5-18-12(21)11-4-3-10(7-17-11)13(14,15)16/h6,10-11,17H,3-5,7H2,1-2H3,(H,18,21)
InChIKeyQEJSBCWXSMVWAN-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.28
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 106048127) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID106048127
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCc1c(CNC(=O)C2CCC(C(F)(F)F)CN2)cnn1C
InChIInChI=1S/C13H19F3N4O/c1-8-9(6-19-20(8)2)5-18-12(21)11-4-3-10(7-17-11)13(14,15)16/h6,10-11,17H,3-5,7H2,1-2H3,(H,18,21)
InChIKeyQEJSBCWXSMVWAN-UHFFFAOYSA-N
XLogP1.28
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide (CID 106048127) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide is Cc1c(CNC(=O)C2CCC(C(F)(F)F)CN2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is QEJSBCWXSMVWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-8-9(6-19-20(8)2)5-18-12(21)11-4-3-10(7-17-11)13(14,15)16/h6,10-11,17H,3-5,7H2,1-2H3,(H,18,21).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 106048127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).