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

C12H22N4 — CID 79188895

IUPAC5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(N2CC(C)C(C)C2)c1N
InChIInChI=1S/C12H22N4/c1-5-10-11(13)12(15(4)14-10)16-6-8(2)9(3)7-16/h8-9H,5-7,13H2,1-4H3
InChIKeySTVNWKOSFYYMIV-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.66
Rot. Bonds2

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

5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 79188895) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
PubChem CID79188895
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(N2CC(C)C(C)C2)c1N
InChIInChI=1S/C12H22N4/c1-5-10-11(13)12(15(4)14-10)16-6-8(2)9(3)7-16/h8-9H,5-7,13H2,1-4H3
InChIKeySTVNWKOSFYYMIV-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine (CID 79188895) is 5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for 5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)c(N2CC(C)C(C)C2)c1N.
What is the InChIKey of 5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is STVNWKOSFYYMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-10-11(13)12(15(4)14-10)16-6-8(2)9(3)7-16/h8-9H,5-7,13H2,1-4H3.
What are the key properties of 5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine?
5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 222.34 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylpyrrolidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 79188895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).