2-[(2S)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]ethanamine

C13H24N4 — CID 51619155

IUPAC2-[(2S)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]ethanamine
SMILESCC(C)Cn1ccc([C@@H]2CCCN2CCN)n1
InChIInChI=1S/C13H24N4/c1-11(2)10-17-8-5-12(15-17)13-4-3-7-16(13)9-6-14/h5,8,11,13H,3-4,6-7,9-10,14H2,1-2H3/t13-/m0/s1
InChIKeyGYRUHFBWVQELPH-ZDUSSCGKSA-N
MW236.36 g/mol
LogP1.63
Rot. Bonds5

About 2-[(2S)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]ethanamine

2-[(2S)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]ethanamine (PubChem CID 51619155) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[(2S)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]ethanamine
PubChem CID51619155
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-[(2S)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]ethanamine
SMILESCC(C)Cn1ccc([C@@H]2CCCN2CCN)n1
InChIInChI=1S/C13H24N4/c1-11(2)10-17-8-5-12(15-17)13-4-3-7-16(13)9-6-14/h5,8,11,13H,3-4,6-7,9-10,14H2,1-2H3/t13-/m0/s1
InChIKeyGYRUHFBWVQELPH-ZDUSSCGKSA-N
XLogP1.63
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[(2S)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]ethanamine (CID 51619155) is 2-[(2S)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[(2S)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[(2S)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]ethanamine is CC(C)Cn1ccc([C@@H]2CCCN2CCN)n1.
What is the InChIKey of 2-[(2S)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]ethanamine?
The InChIKey is GYRUHFBWVQELPH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)10-17-8-5-12(15-17)13-4-3-7-16(13)9-6-14/h5,8,11,13H,3-4,6-7,9-10,14H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[(2S)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]ethanamine?
2-[(2S)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[1-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 51619155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).