2-[4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrazol-1-yl]acetamide

C12H18F3N5O — CID 43783599

IUPAC2-[4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NC2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)8-19-3-1-9(2-4-19)18-10-5-17-20(6-10)7-11(16)21/h5-6,9,18H,1-4,7-8H2,(H2,16,21)
InChIKeyBNPFAHDNHIFVPZ-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.81
Rot. Bonds5

About 2-[4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrazol-1-yl]acetamide

2-[4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrazol-1-yl]acetamide (PubChem CID 43783599) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-[4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrazol-1-yl]acetamide
PubChem CID43783599
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name2-[4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NC2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)8-19-3-1-9(2-4-19)18-10-5-17-20(6-10)7-11(16)21/h5-6,9,18H,1-4,7-8H2,(H2,16,21)
InChIKeyBNPFAHDNHIFVPZ-UHFFFAOYSA-N
XLogP0.81
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-1H-pyrazol-1-yl)-N-methylacetamide
CID 28065173
2-(4-Amino-1h-pyrazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
CID 28313578
2-(4-amino-1H-pyrazol-1-yl)-N-cyclopropylacetamide
CID 28373958
2-(4-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 28379290
3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
CID 54593545
1-(1-methyl-1H-pyrazol-4-yl)piperidin-3-amine
CID 54593547
1-(1-Methyl-1H-pyrazol-4-yl)-2-piperazinone
CID 64263444
N-methyl-1-(1-methyl-1H-pyrazol-4-yl)piperidin-3-amine
CID 64270757
5-(4-Amino-1H-pyrazol-1-YL)piperidin-2-one
CID 67076055
1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 51098378
N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 51098380
N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 51098382

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrazol-1-yl]acetamide (CID 43783599) is 2-[4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrazol-1-yl]acetamide is NC(=O)Cn1cc(NC2CCN(CC(F)(F)F)CC2)cn1.
What is the InChIKey of 2-[4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrazol-1-yl]acetamide?
The InChIKey is BNPFAHDNHIFVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c13-12(14,15)8-19-3-1-9(2-4-19)18-10-5-17-20(6-10)7-11(16)21/h5-6,9,18H,1-4,7-8H2,(H2,16,21).
What are the key properties of 2-[4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrazol-1-yl]acetamide?
2-[4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrazol-1-yl]acetamide has a molecular weight of 305.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 43783599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).