N,N-dimethyl-2-[3-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]acetamide

C13H19F3N4O — CID 141405325

IUPACN,N-dimethyl-2-[3-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]acetamide
SMILESCN(C)C(=O)Cn1ccc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C13H19F3N4O/c1-18(2)12(21)9-20-7-5-11(17-20)19-6-3-4-10(8-19)13(14,15)16/h5,7,10H,3-4,6,8-9H2,1-2H3
InChIKeyIEIDRZIRSMJHHI-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.75
Rot. Bonds3

About N,N-dimethyl-2-[3-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]acetamide

N,N-dimethyl-2-[3-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]acetamide (PubChem CID 141405325) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]acetamide
PubChem CID141405325
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN,N-dimethyl-2-[3-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]acetamide
SMILESCN(C)C(=O)Cn1ccc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C13H19F3N4O/c1-18(2)12(21)9-20-7-5-11(17-20)19-6-3-4-10(8-19)13(14,15)16/h5,7,10H,3-4,6,8-9H2,1-2H3
InChIKeyIEIDRZIRSMJHHI-UHFFFAOYSA-N
XLogP1.75
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16294137
Tert-butyl 4-[1-(difluoromethyl)pyrazol-3-yl]piperazine-1-carboxylate
CID 169597329
1-[1-(Difluoromethyl)pyrazol-3-yl]piperazin-2-one
CID 177125093
N-(2-cyclopentylpyrazol-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 17451863
N-(2-cyclopentylpyrazol-3-yl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 25959147
N-(2-cyclopentylpyrazol-3-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 25959149
2-(3-aminopyrazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 55035924
2-(3-Aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62101229
2-(3-Aminopyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 62112212
2-(3-aminopyrazol-1-yl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62113209
2-(3-aminopyrazol-1-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide
CID 62114074
2-(3-Aminopyrazol-1-yl)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 65533985

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]acetamide (CID 141405325) is N,N-dimethyl-2-[3-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]acetamide is CN(C)C(=O)Cn1ccc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of N,N-dimethyl-2-[3-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]acetamide?
The InChIKey is IEIDRZIRSMJHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-18(2)12(21)9-20-7-5-11(17-20)19-6-3-4-10(8-19)13(14,15)16/h5,7,10H,3-4,6,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]acetamide?
N,N-dimethyl-2-[3-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]acetamide has a molecular weight of 304.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 141405325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).