2-(3-aminopyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

C11H16F3N5O — CID 62112212

IUPAC2-(3-aminopyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESNc1ccn(CC(=O)N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)8-17-3-5-18(6-4-17)10(20)7-19-2-1-9(15)16-19/h1-2H,3-8H2,(H2,15,16)
InChIKeyPKUMNCMIGHJRLF-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.17
Rot. Bonds3

About 2-(3-aminopyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone

2-(3-aminopyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (PubChem CID 62112212) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
PubChem CID62112212
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name2-(3-aminopyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
SMILESNc1ccn(CC(=O)N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)8-17-3-5-18(6-4-17)10(20)7-19-2-1-9(15)16-19/h1-2H,3-8H2,(H2,15,16)
InChIKeyPKUMNCMIGHJRLF-UHFFFAOYSA-N
XLogP0.17
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(3-amino-1H-pyrazol-1-yl)-N-methylacetamide
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1-[4-(2,2-Difluoroethyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
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2-(3-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
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2-(3-amino-1H-pyrazol-1-yl)-N-ethylacetamide
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2-(3-amino-1H-pyrazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
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1-Pyrrolidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one
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(2S)-N-prop-2-ynyl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
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2-(cyclopropylamino)-N-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]acetamide hydrochloride
CID 99777097
N,N-dimethyl-2-[3-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]acetamide
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2-(3-aminopyrazol-1-yl)-2,2-difluoro-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone (CID 62112212) is 2-(3-aminopyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is Nc1ccn(CC(=O)N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
The InChIKey is PKUMNCMIGHJRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c12-11(13,14)8-17-3-5-18(6-4-17)10(20)7-19-2-1-9(15)16-19/h1-2H,3-8H2,(H2,15,16).
What are the key properties of 2-(3-aminopyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone?
2-(3-aminopyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone has a molecular weight of 291.28 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 62112212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).