[3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine

C12H22N4 — CID 115092671

IUPAC[3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine
SMILESCCN1CCCC1Cc1cc(CN)n(C)n1
InChIInChI=1S/C12H22N4/c1-3-16-6-4-5-11(16)7-10-8-12(9-13)15(2)14-10/h8,11H,3-7,9,13H2,1-2H3
InChIKeyRTPXWOGXIOQJRW-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.91
Rot. Bonds4

About [3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine

[3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine (PubChem CID 115092671) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine
PubChem CID115092671
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine
SMILESCCN1CCCC1Cc1cc(CN)n(C)n1
InChIInChI=1S/C12H22N4/c1-3-16-6-4-5-11(16)7-10-8-12(9-13)15(2)14-10/h8,11H,3-7,9,13H2,1-2H3
InChIKeyRTPXWOGXIOQJRW-UHFFFAOYSA-N
XLogP0.91
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol
CID 115092755
[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 115094111
4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 117106043
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
4-chloro-6-[(1-ethylpiperidin-2-yl)methyl]pyridazin-3-amine
CID 117106182
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
CID 81009696
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932
2-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylimidazo[1,2-a]pyridine
CID 117129834
[3-(1-ethylpyrrolidin-2-yl)-1-methylpyrazol-5-yl]methanol
CID 115092540
[2-[(1-ethylpiperidin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
CID 117129906

Frequently Asked Questions

What is the IUPAC name of [3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine?
The IUPAC name of [3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine (CID 115092671) is [3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine.
What is the SMILES notation for [3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine?
The canonical SMILES for [3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine is CCN1CCCC1Cc1cc(CN)n(C)n1.
What is the InChIKey of [3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine?
The InChIKey is RTPXWOGXIOQJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-16-6-4-5-11(16)7-10-8-12(9-13)15(2)14-10/h8,11H,3-7,9,13H2,1-2H3.
What are the key properties of [3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine?
[3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine is sourced from PubChem (CID 115092671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).