1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone

C13H20N4O — CID 126900346

IUPAC1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1CN1CC(n2cccn2)C1
InChIInChI=1S/C13H20N4O/c1-11(18)16-6-2-4-12(16)8-15-9-13(10-15)17-7-3-5-14-17/h3,5,7,12-13H,2,4,6,8-10H2,1H3
InChIKeyUFDTZDNQOUDUID-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.75
Rot. Bonds3

About 1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone

1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 126900346) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID126900346
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1CN1CC(n2cccn2)C1
InChIInChI=1S/C13H20N4O/c1-11(18)16-6-2-4-12(16)8-15-9-13(10-15)17-7-3-5-14-17/h3,5,7,12-13H,2,4,6,8-10H2,1H3
InChIKeyUFDTZDNQOUDUID-UHFFFAOYSA-N
XLogP0.75
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603863
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
2-(3-pyrazol-1-ylazetidin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 95611948
4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol
CID 110931810
1-[(2-methylcyclopropyl)methyl]-3-pyrazol-1-ylpiperidine
CID 86806817
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole
CID 126900374
4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]thiane 1,1-dioxide
CID 126900371
(4S)-1-cyclopropyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95603675
2-[[1-[(1-acetylpyrrolidin-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929481
3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944971
(1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900094

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone (CID 126900346) is 1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1CN1CC(n2cccn2)C1.
What is the InChIKey of 1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is UFDTZDNQOUDUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-11(18)16-6-2-4-12(16)8-15-9-13(10-15)17-7-3-5-14-17/h3,5,7,12-13H,2,4,6,8-10H2,1H3.
What are the key properties of 1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone?
1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 126900346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).