5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine

C12H22N4 — CID 66011690

IUPAC5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1N1CCCC1(C)C
InChIInChI=1S/C12H22N4/c1-5-16-11(10(13)9(2)14-16)15-8-6-7-12(15,3)4/h5-8,13H2,1-4H3
InChIKeyWMADJHFYYCLUEF-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.17
Rot. Bonds2

About 5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine

5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine (PubChem CID 66011690) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine
PubChem CID66011690
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1N1CCCC1(C)C
InChIInChI=1S/C12H22N4/c1-5-16-11(10(13)9(2)14-16)15-8-6-7-12(15,3)4/h5-8,13H2,1-4H3
InChIKeyWMADJHFYYCLUEF-UHFFFAOYSA-N
XLogP2.17
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine?
The IUPAC name of 5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine (CID 66011690) is 5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine.
What is the SMILES notation for 5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine?
The canonical SMILES for 5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine is CCn1nc(C)c(N)c1N1CCCC1(C)C.
What is the InChIKey of 5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine?
The InChIKey is WMADJHFYYCLUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-16-11(10(13)9(2)14-16)15-8-6-7-12(15,3)4/h5-8,13H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine?
5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine has a molecular weight of 222.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpyrrolidin-1-yl)-1-ethyl-3-methylpyrazol-4-amine is sourced from PubChem (CID 66011690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).