1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one

C16H26N4O — CID 129427741

IUPAC1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
SMILESCN1CCC[C@H]1[C@H]1CCCN1C(=O)CCCn1cccn1
InChIInChI=1S/C16H26N4O/c1-18-10-2-6-14(18)15-7-3-13-20(15)16(21)8-4-11-19-12-5-9-17-19/h5,9,12,14-15H,2-4,6-8,10-11,13H2,1H3/t14-,15+/m0/s1
InChIKeyGNRQTBWMOVYMMJ-LSDHHAIUSA-N
MW290.41 g/mol
LogP1.75
Rot. Bonds5

About 1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one

1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one (PubChem CID 129427741) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
PubChem CID129427741
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
SMILESCN1CCC[C@H]1[C@H]1CCCN1C(=O)CCCn1cccn1
InChIInChI=1S/C16H26N4O/c1-18-10-2-6-14(18)15-7-3-13-20(15)16(21)8-4-11-19-12-5-9-17-19/h5,9,12,14-15H,2-4,6-8,10-11,13H2,1H3/t14-,15+/m0/s1
InChIKeyGNRQTBWMOVYMMJ-LSDHHAIUSA-N
XLogP1.75
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one with MolForge

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Related Compounds

1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119355394
4-(2-methylimidazol-1-yl)-1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 95303189
1-[(2S)-2-[(2R)-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 97025089
4-pyrazol-1-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one
CID 95978501
3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one
CID 62274909
1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 110119264
1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 95758850
3-methoxy-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 98758074
1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95300977
4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 135116483
1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 110119067
1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 95606254

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one (CID 129427741) is 1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one is CN1CCC[C@H]1[C@H]1CCCN1C(=O)CCCn1cccn1.
What is the InChIKey of 1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
The InChIKey is GNRQTBWMOVYMMJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H26N4O/c1-18-10-2-6-14(18)15-7-3-13-20(15)16(21)8-4-11-19-12-5-9-17-19/h5,9,12,14-15H,2-4,6-8,10-11,13H2,1H3/t14-,15+/m0/s1.
What are the key properties of 1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one?
1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 129427741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).