[2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine

C12H22N4 — CID 79584047

IUPAC[2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine
SMILESCCN1CCC(CN)C1c1cnn(C)c1C
InChIInChI=1S/C12H22N4/c1-4-16-6-5-10(7-13)12(16)11-8-14-15(3)9(11)2/h8,10,12H,4-7,13H2,1-3H3
InChIKeySQLPBNDSAQCRMQ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.07
Rot. Bonds3

About [2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine

[2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine (PubChem CID 79584047) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine
PubChem CID79584047
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine
SMILESCCN1CCC(CN)C1c1cnn(C)c1C
InChIInChI=1S/C12H22N4/c1-4-16-6-5-10(7-13)12(16)11-8-14-15(3)9(11)2/h8,10,12H,4-7,13H2,1-3H3
InChIKeySQLPBNDSAQCRMQ-UHFFFAOYSA-N
XLogP1.07
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine?
The IUPAC name of [2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine (CID 79584047) is [2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine is CCN1CCC(CN)C1c1cnn(C)c1C.
What is the InChIKey of [2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine?
The InChIKey is SQLPBNDSAQCRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-16-6-5-10(7-13)12(16)11-8-14-15(3)9(11)2/h8,10,12H,4-7,13H2,1-3H3.
What are the key properties of [2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine?
[2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 79584047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).