2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one

C14H22N4O — CID 62275068

IUPAC2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCC1C1CCCN1)n1cccn1
InChIInChI=1S/C14H22N4O/c1-11(18-10-4-8-16-18)14(19)17-9-3-6-13(17)12-5-2-7-15-12/h4,8,10-13,15H,2-3,5-7,9H2,1H3
InChIKeyFTYMUDDJAYYBIE-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.19
Rot. Bonds3

About 2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one

2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 62275068) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one
PubChem CID62275068
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCC1C1CCCN1)n1cccn1
InChIInChI=1S/C14H22N4O/c1-11(18-10-4-8-16-18)14(19)17-9-3-6-13(17)12-5-2-7-15-12/h4,8,10-13,15H,2-3,5-7,9H2,1H3
InChIKeyFTYMUDDJAYYBIE-UHFFFAOYSA-N
XLogP1.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-pyrrolidin-2-ylpyrrolidine-1-carboxamide
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3-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one
CID 62274909
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone
CID 175339553
2-methyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256243
3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62275584
1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 51076824
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1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119592942
1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 63259105
(1-propan-2-ylpyrrol-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one (CID 62275068) is 2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one is CC(C(=O)N1CCCC1C1CCCN1)n1cccn1.
What is the InChIKey of 2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is FTYMUDDJAYYBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11(18-10-4-8-16-18)14(19)17-9-3-6-13(17)12-5-2-7-15-12/h4,8,10-13,15H,2-3,5-7,9H2,1H3.
What are the key properties of 2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one?
2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 262.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 62275068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).