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

C15H21F3N4O — CID 153301078

IUPAC2,2,2-trifluoro-1-[4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
SMILESCn1cc(C2CCCN2C2CCN(C(=O)C(F)(F)F)CC2)cn1
InChIInChI=1S/C15H21F3N4O/c1-20-10-11(9-19-20)13-3-2-6-22(13)12-4-7-21(8-5-12)14(23)15(16,17)18/h9-10,12-13H,2-8H2,1H3
InChIKeyBFECKTHFLFSCHI-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.11
Rot. Bonds2

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

2,2,2-trifluoro-1-[4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 153301078) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
PubChem CID153301078
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name2,2,2-trifluoro-1-[4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
SMILESCn1cc(C2CCCN2C2CCN(C(=O)C(F)(F)F)CC2)cn1
InChIInChI=1S/C15H21F3N4O/c1-20-10-11(9-19-20)13-3-2-6-22(13)12-4-7-21(8-5-12)14(23)15(16,17)18/h9-10,12-13H,2-8H2,1H3
InChIKeyBFECKTHFLFSCHI-UHFFFAOYSA-N
XLogP2.11
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 53613462
3-(1-Methylpyrazol-4-yl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 53625013
3,3,3-Trifluoro-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 56779110
N-(cyclopropylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-propylacetamide
CID 56825328
N-(1-cyano-1-methylethyl)-N-methyl-2-[2-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 72146361
1-cyclopentyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72873054
1-isopropyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72915942
1-cyclopentyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-6-oxo-3-piperidinecarboxamide
CID 72923965
1-[1-[(1-Methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97493667
N-[1-(1-methyl-1H-pyrazol-4-yl)propyl]-4-pyrrolidin-1-ylbutanamide
CID 91770923
3-(4-methylpyrazol-1-yl)-1-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 97123867
1-[1-[(1-Methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118745241

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone (CID 153301078) is 2,2,2-trifluoro-1-[4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone is Cn1cc(C2CCCN2C2CCN(C(=O)C(F)(F)F)CC2)cn1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is BFECKTHFLFSCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-20-10-11(9-19-20)13-3-2-6-22(13)12-4-7-21(8-5-12)14(23)15(16,17)18/h9-10,12-13H,2-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 330.35 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 153301078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).