2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one

C12H20N4O — CID 90105322

IUPAC2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1c(N)cnn1C(C)(C)C(=O)N1CCCC1
InChIInChI=1S/C12H20N4O/c1-9-10(13)8-14-16(9)12(2,3)11(17)15-6-4-5-7-15/h8H,4-7,13H2,1-3H3
InChIKeyCYZLCNZSPPAWBL-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.13
Rot. Bonds2

About 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one

2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 90105322) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID90105322
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1c(N)cnn1C(C)(C)C(=O)N1CCCC1
InChIInChI=1S/C12H20N4O/c1-9-10(13)8-14-16(9)12(2,3)11(17)15-6-4-5-7-15/h8H,4-7,13H2,1-3H3
InChIKeyCYZLCNZSPPAWBL-UHFFFAOYSA-N
XLogP1.13
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one (CID 90105322) is 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one is Cc1c(N)cnn1C(C)(C)C(=O)N1CCCC1.
What is the InChIKey of 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is CYZLCNZSPPAWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-10(13)8-14-16(9)12(2,3)11(17)15-6-4-5-7-15/h8H,4-7,13H2,1-3H3.
What are the key properties of 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 236.32 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-methylpyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 90105322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).