2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine

C13H21N3 — CID 84787046

IUPAC2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine
SMILESc1cc(C2CCCCN2)n(CC2CCC2)n1
InChIInChI=1S/C13H21N3/c1-2-8-14-12(6-1)13-7-9-15-16(13)10-11-4-3-5-11/h7,9,11-12,14H,1-6,8,10H2
InChIKeyOSPQNKUQOVEFDM-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.50
Rot. Bonds3

About 2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine

2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine (PubChem CID 84787046) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine.

Molecular Properties

Compound Name2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine
PubChem CID84787046
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine
SMILESc1cc(C2CCCCN2)n(CC2CCC2)n1
InChIInChI=1S/C13H21N3/c1-2-8-14-12(6-1)13-7-9-15-16(13)10-11-4-3-5-11/h7,9,11-12,14H,1-6,8,10H2
InChIKeyOSPQNKUQOVEFDM-UHFFFAOYSA-N
XLogP2.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylmethyl)-5-pyrrolidin-2-ylpyrazole
CID 84778724
2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine
CID 84685102
1-(azetidin-3-ylmethyl)-5-cyclopentylpyrazole
CID 84778729
2-(2-tert-butylpyrazol-3-yl)piperidine
CID 83392327
1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 84685100
1-[2-(cyclobutylmethyl)pyrazol-3-yl]-N-methylmethanamine
CID 84768012
1-ethenyl-5-pyrrolidin-2-ylpyrazole
CID 84764702
N-cyclopentyl-2-(cyclopropylmethyl)pyrazol-3-amine
CID 115702987
5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 104879874
5-bromo-1-(cyclopropylmethyl)pyrazole
CID 84776026
2-amino-2-[2-(cyclobutylmethyl)pyrazol-3-yl]acetic acid
CID 84780605
2-(2-ethylpyrazol-3-yl)-3-methylpiperidine
CID 106779052

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine?
The IUPAC name of 2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine (CID 84787046) is 2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine.
What is the SMILES notation for 2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine?
The canonical SMILES for 2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine is c1cc(C2CCCCN2)n(CC2CCC2)n1.
What is the InChIKey of 2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine?
The InChIKey is OSPQNKUQOVEFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-8-14-12(6-1)13-7-9-15-16(13)10-11-4-3-5-11/h7,9,11-12,14H,1-6,8,10H2.
What are the key properties of 2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine?
2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine is sourced from PubChem (CID 84787046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).