1-ethenyl-5-pyrrolidin-2-ylpyrazole

C9H13N3 — CID 84764702

IUPAC1-ethenyl-5-pyrrolidin-2-ylpyrazole
SMILESC=Cn1nccc1C1CCCN1
InChIInChI=1S/C9H13N3/c1-2-12-9(5-7-11-12)8-4-3-6-10-8/h2,5,7-8,10H,1,3-4,6H2
InChIKeyQMCBSLMIEUQTID-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.41
Rot. Bonds2

About 1-ethenyl-5-pyrrolidin-2-ylpyrazole

1-ethenyl-5-pyrrolidin-2-ylpyrazole (PubChem CID 84764702) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-ethenyl-5-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name1-ethenyl-5-pyrrolidin-2-ylpyrazole
PubChem CID84764702
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-ethenyl-5-pyrrolidin-2-ylpyrazole
SMILESC=Cn1nccc1C1CCCN1
InChIInChI=1S/C9H13N3/c1-2-12-9(5-7-11-12)8-4-3-6-10-8/h2,5,7-8,10H,1,3-4,6H2
InChIKeyQMCBSLMIEUQTID-UHFFFAOYSA-N
XLogP1.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylmethyl)-5-pyrrolidin-2-ylpyrazole
CID 84778724
2-(2-tert-butylpyrazol-3-yl)piperidine
CID 83392327
2-[2-(cyclobutylmethyl)pyrazol-3-yl]piperidine
CID 84787046
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole
CID 117372547
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
3-(2-prop-2-enylpyrazol-3-yl)morpholine
CID 84772813
4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine
CID 104942141
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
4-ethyl-2-pyrrolidin-2-ylpyridine
CID 115009302
(2S)-2-(3-ethenylphenyl)pyrrolidine
CID 55252972
3-(5-pyrrolidin-2-ylimidazol-1-yl)pyridine
CID 114703701

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-pyrrolidin-2-ylpyrazole?
The IUPAC name of 1-ethenyl-5-pyrrolidin-2-ylpyrazole (CID 84764702) is 1-ethenyl-5-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 1-ethenyl-5-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 1-ethenyl-5-pyrrolidin-2-ylpyrazole is C=Cn1nccc1C1CCCN1.
What is the InChIKey of 1-ethenyl-5-pyrrolidin-2-ylpyrazole?
The InChIKey is QMCBSLMIEUQTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-12-9(5-7-11-12)8-4-3-6-10-8/h2,5,7-8,10H,1,3-4,6H2.
What are the key properties of 1-ethenyl-5-pyrrolidin-2-ylpyrazole?
1-ethenyl-5-pyrrolidin-2-ylpyrazole has a molecular weight of 163.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 84764702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).