N-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide

C12H20N4O — CID 104618156

IUPACN-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide
SMILESCCCc1cc(NC(=O)CC2CCCN2)n[nH]1
InChIInChI=1S/C12H20N4O/c1-2-4-10-7-11(16-15-10)14-12(17)8-9-5-3-6-13-9/h7,9,13H,2-6,8H2,1H3,(H2,14,15,16,17)
InChIKeyDSEHJHLBUADKCR-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.44
Rot. Bonds5

About N-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide

N-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide (PubChem CID 104618156) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide
PubChem CID104618156
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide
SMILESCCCc1cc(NC(=O)CC2CCCN2)n[nH]1
InChIInChI=1S/C12H20N4O/c1-2-4-10-7-11(16-15-10)14-12(17)8-9-5-3-6-13-9/h7,9,13H,2-6,8H2,1H3,(H2,14,15,16,17)
InChIKeyDSEHJHLBUADKCR-UHFFFAOYSA-N
XLogP1.44
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 115976378
N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide
CID 113433582
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)piperidine-2-carboxamide
CID 107068555
2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115619904
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 102780018
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 115593738
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770
3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104617718
(2S)-N-(5-propyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103873136
N-(2-tert-butylpyrimidin-5-yl)-2-pyrrolidin-2-ylacetamide
CID 119752785
2-(1-aminocyclopentyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 113433565

Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide (CID 104618156) is N-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide is CCCc1cc(NC(=O)CC2CCCN2)n[nH]1.
What is the InChIKey of N-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is DSEHJHLBUADKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-4-10-7-11(16-15-10)14-12(17)8-9-5-3-6-13-9/h7,9,13H,2-6,8H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide?
N-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 236.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1H-pyrazol-3-yl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 104618156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).