cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

C13H19N3O — CID 73440121

IUPACcyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCCC1Cn1cccn1
InChIInChI=1S/C13H19N3O/c17-13(11-4-1-5-11)16-9-2-6-12(16)10-15-8-3-7-14-15/h3,7-8,11-12H,1-2,4-6,9-10H2
InChIKeyNFNABQVWAOBIEW-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.67
Rot. Bonds3

About cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 73440121) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID73440121
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Namecyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCCC1Cn1cccn1
InChIInChI=1S/C13H19N3O/c17-13(11-4-1-5-11)16-9-2-6-12(16)10-15-8-3-7-14-15/h3,7-8,11-12H,1-2,4-6,9-10H2
InChIKeyNFNABQVWAOBIEW-UHFFFAOYSA-N
XLogP1.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1,1-dioxothiolan-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95319762
[(3R)-oxolan-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603909
[(2S)-1-ethylpiperidin-2-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603872
(4S)-1-methyl-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one
CID 95354134
(4S)-1-cyclopropyl-4-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95603675
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603700
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 98761419
(1-pyrazin-2-ylpiperidin-3-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56779237
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
2-ethylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603863
[(2R)-1-propylpyrrolidin-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 129461598
(4R)-4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95342489

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 73440121) is cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(C1CCC1)N1CCCC1Cn1cccn1.
What is the InChIKey of cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is NFNABQVWAOBIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13(11-4-1-5-11)16-9-2-6-12(16)10-15-8-3-7-14-15/h3,7-8,11-12H,1-2,4-6,9-10H2.
What are the key properties of cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 233.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 73440121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).