2,2,2-trifluoro-1-[3-[(1-methylpyrazol-4-yl)amino]pyrrolidin-1-yl]ethanone

C10H13F3N4O — CID 151263204

IUPAC2,2,2-trifluoro-1-[3-[(1-methylpyrazol-4-yl)amino]pyrrolidin-1-yl]ethanone
SMILESCn1cc(NC2CCN(C(=O)C(F)(F)F)C2)cn1
InChIInChI=1S/C10H13F3N4O/c1-16-5-8(4-14-16)15-7-2-3-17(6-7)9(18)10(11,12)13/h4-5,7,15H,2-3,6H2,1H3
InChIKeyNUUALNVLJRSDKK-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.00
Rot. Bonds2

About 2,2,2-trifluoro-1-[3-[(1-methylpyrazol-4-yl)amino]pyrrolidin-1-yl]ethanone

2,2,2-trifluoro-1-[3-[(1-methylpyrazol-4-yl)amino]pyrrolidin-1-yl]ethanone (PubChem CID 151263204) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-[(1-methylpyrazol-4-yl)amino]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-[(1-methylpyrazol-4-yl)amino]pyrrolidin-1-yl]ethanone
PubChem CID151263204
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name2,2,2-trifluoro-1-[3-[(1-methylpyrazol-4-yl)amino]pyrrolidin-1-yl]ethanone
SMILESCn1cc(NC2CCN(C(=O)C(F)(F)F)C2)cn1
InChIInChI=1S/C10H13F3N4O/c1-16-5-8(4-14-16)15-7-2-3-17(6-7)9(18)10(11,12)13/h4-5,7,15H,2-3,6H2,1H3
InChIKeyNUUALNVLJRSDKK-UHFFFAOYSA-N
XLogP1.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-1H-pyrazol-1-yl)-N-methylacetamide
CID 28065173
2-(4-amino-1H-pyrazol-1-yl)-N-cyclopropylacetamide
CID 28373958
2-(4-amino-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 28280666
1-(1-Methyl-1H-pyrazol-4-yl)-2-piperazinone
CID 64263444
3-(4-amino-1H-pyrazol-1-yl)pyrrolidin-2-one
CID 137698641
2-[4-[(1-Ethylpyrrolidin-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetamide
CID 53504545
1-(1-Ethylpyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
CID 53504548
1-(1-Ethylpyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 53506142
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 53509083
2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 71979170
2-(4-amino-1H-pyrazol-1-yl)-N-(cyanomethyl)acetamide
CID 28373998
2-(4-Amino-1H-pyrazol-1-yl)-N-methylacetamide--hydrogen chloride (1/1)
CID 50998519

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-[(1-methylpyrazol-4-yl)amino]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-[(1-methylpyrazol-4-yl)amino]pyrrolidin-1-yl]ethanone (CID 151263204) is 2,2,2-trifluoro-1-[3-[(1-methylpyrazol-4-yl)amino]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-[(1-methylpyrazol-4-yl)amino]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-[(1-methylpyrazol-4-yl)amino]pyrrolidin-1-yl]ethanone is Cn1cc(NC2CCN(C(=O)C(F)(F)F)C2)cn1.
What is the InChIKey of 2,2,2-trifluoro-1-[3-[(1-methylpyrazol-4-yl)amino]pyrrolidin-1-yl]ethanone?
The InChIKey is NUUALNVLJRSDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-16-5-8(4-14-16)15-7-2-3-17(6-7)9(18)10(11,12)13/h4-5,7,15H,2-3,6H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[3-[(1-methylpyrazol-4-yl)amino]pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-[(1-methylpyrazol-4-yl)amino]pyrrolidin-1-yl]ethanone has a molecular weight of 262.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-[(1-methylpyrazol-4-yl)amino]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 151263204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).