2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine

C13H21N3 — CID 84685102

IUPAC2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine
SMILESc1cc(CC2CCCCN2)n(CC2CC2)n1
InChIInChI=1S/C13H21N3/c1-2-7-14-12(3-1)9-13-6-8-15-16(13)10-11-4-5-11/h6,8,11-12,14H,1-5,7,9-10H2
InChIKeyUVBOPODGSSZPAG-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.98
Rot. Bonds4

About 2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine

2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine (PubChem CID 84685102) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine
PubChem CID84685102
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine
SMILESc1cc(CC2CCCCN2)n(CC2CC2)n1
InChIInChI=1S/C13H21N3/c1-2-7-14-12(3-1)9-13-6-8-15-16(13)10-11-4-5-11/h6,8,11-12,14H,1-5,7,9-10H2
InChIKeyUVBOPODGSSZPAG-UHFFFAOYSA-N
XLogP1.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 84685100
2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine
CID 84787046
2-[2-(cyclopropylmethyl)pyrazol-3-yl]ethanamine
CID 84652253
1-(cyclobutylmethyl)-5-pyrrolidin-2-ylpyrazole
CID 84778724
2-[2-(2-methylpyrazol-3-yl)ethyl]azepane
CID 103015057
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604456
1-[2-(cyclobutylmethyl)pyrazol-3-yl]-N-methylmethanamine
CID 84768012
2-(1H-pyrazol-5-ylmethyl)piperidine
CID 83845818
N-cyclopentyl-2-(cyclopropylmethyl)pyrazol-3-amine
CID 115702987
5-bromo-1-(cyclopropylmethyl)pyrazole
CID 84776026
2-[[3-(2-methylpropyl)triazol-4-yl]methyl]piperidine
CID 84687903
2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 115031695

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine?
The IUPAC name of 2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine (CID 84685102) is 2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine.
What is the SMILES notation for 2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine?
The canonical SMILES for 2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine is c1cc(CC2CCCCN2)n(CC2CC2)n1.
What is the InChIKey of 2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine?
The InChIKey is UVBOPODGSSZPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-7-14-12(3-1)9-13-6-8-15-16(13)10-11-4-5-11/h6,8,11-12,14H,1-5,7,9-10H2.
What are the key properties of 2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine?
2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine has a molecular weight of 219.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylmethyl)pyrazol-3-yl]methyl]piperidine is sourced from PubChem (CID 84685102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).