2-(4-aminopyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one

C11H18N4O — CID 90103878

IUPAC2-(4-aminopyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCCC1)n1cc(N)cn1
InChIInChI=1S/C11H18N4O/c1-11(2,15-8-9(12)7-13-15)10(16)14-5-3-4-6-14/h7-8H,3-6,12H2,1-2H3
InChIKeyCZVKTRWVTUITAW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.82
Rot. Bonds2

About 2-(4-aminopyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one

2-(4-aminopyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 90103878) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID90103878
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(4-aminopyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCCC1)n1cc(N)cn1
InChIInChI=1S/C11H18N4O/c1-11(2,15-8-9(12)7-13-15)10(16)14-5-3-4-6-14/h7-8H,3-6,12H2,1-2H3
InChIKeyCZVKTRWVTUITAW-UHFFFAOYSA-N
XLogP0.82
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one (CID 90103878) is 2-(4-aminopyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one is CC(C)(C(=O)N1CCCC1)n1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is CZVKTRWVTUITAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2,15-8-9(12)7-13-15)10(16)14-5-3-4-6-14/h7-8H,3-6,12H2,1-2H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
2-(4-aminopyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 222.29 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 90103878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).