N-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide

C12H20N4O — CID 33177226

IUPACN-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide
SMILESCC(C)n1nccc1NC(=O)CN1CCCC1
InChIInChI=1S/C12H20N4O/c1-10(2)16-11(5-6-13-16)14-12(17)9-15-7-3-4-8-15/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,17)
InChIKeyRGXYFYNDRMWQGN-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.50
Rot. Bonds4

About N-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide

N-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide (PubChem CID 33177226) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide
PubChem CID33177226
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide
SMILESCC(C)n1nccc1NC(=O)CN1CCCC1
InChIInChI=1S/C12H20N4O/c1-10(2)16-11(5-6-13-16)14-12(17)9-15-7-3-4-8-15/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,17)
InChIKeyRGXYFYNDRMWQGN-UHFFFAOYSA-N
XLogP1.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide (CID 33177226) is N-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide is CC(C)n1nccc1NC(=O)CN1CCCC1.
What is the InChIKey of N-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is RGXYFYNDRMWQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(2)16-11(5-6-13-16)14-12(17)9-15-7-3-4-8-15/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,17).
What are the key properties of N-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide?
N-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 236.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 33177226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).