1-methyl-5-(1-methylpyrrolidin-3-yl)oxy-3-propan-2-ylpyrazol-4-amine

C12H22N4O — CID 112741274

IUPAC1-methyl-5-(1-methylpyrrolidin-3-yl)oxy-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(C)c(OC2CCN(C)C2)c1N
InChIInChI=1S/C12H22N4O/c1-8(2)11-10(13)12(16(4)14-11)17-9-5-6-15(3)7-9/h8-9H,5-7,13H2,1-4H3
InChIKeyGHMZJOYYESZXSV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.21
Rot. Bonds3

About 1-methyl-5-(1-methylpyrrolidin-3-yl)oxy-3-propan-2-ylpyrazol-4-amine

1-methyl-5-(1-methylpyrrolidin-3-yl)oxy-3-propan-2-ylpyrazol-4-amine (PubChem CID 112741274) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-methyl-5-(1-methylpyrrolidin-3-yl)oxy-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-(1-methylpyrrolidin-3-yl)oxy-3-propan-2-ylpyrazol-4-amine
PubChem CID112741274
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-methyl-5-(1-methylpyrrolidin-3-yl)oxy-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(C)c(OC2CCN(C)C2)c1N
InChIInChI=1S/C12H22N4O/c1-8(2)11-10(13)12(16(4)14-11)17-9-5-6-15(3)7-9/h8-9H,5-7,13H2,1-4H3
InChIKeyGHMZJOYYESZXSV-UHFFFAOYSA-N
XLogP1.21
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-methylpyrrolidin-3-yl)oxy-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of 1-methyl-5-(1-methylpyrrolidin-3-yl)oxy-3-propan-2-ylpyrazol-4-amine (CID 112741274) is 1-methyl-5-(1-methylpyrrolidin-3-yl)oxy-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-(1-methylpyrrolidin-3-yl)oxy-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 1-methyl-5-(1-methylpyrrolidin-3-yl)oxy-3-propan-2-ylpyrazol-4-amine is CC(C)c1nn(C)c(OC2CCN(C)C2)c1N.
What is the InChIKey of 1-methyl-5-(1-methylpyrrolidin-3-yl)oxy-3-propan-2-ylpyrazol-4-amine?
The InChIKey is GHMZJOYYESZXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)11-10(13)12(16(4)14-11)17-9-5-6-15(3)7-9/h8-9H,5-7,13H2,1-4H3.
What are the key properties of 1-methyl-5-(1-methylpyrrolidin-3-yl)oxy-3-propan-2-ylpyrazol-4-amine?
1-methyl-5-(1-methylpyrrolidin-3-yl)oxy-3-propan-2-ylpyrazol-4-amine has a molecular weight of 238.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-methylpyrrolidin-3-yl)oxy-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 112741274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).