N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide

C12H20N4O — CID 106047419

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
SMILESCc1c(CNC(=O)CC2CCNC2)cnn1C
InChIInChI=1S/C12H20N4O/c1-9-11(8-15-16(9)2)7-14-12(17)5-10-3-4-13-6-10/h8,10,13H,3-7H2,1-2H3,(H,14,17)
InChIKeyJWKPMIJZCSEYQY-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.34
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide (PubChem CID 106047419) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
PubChem CID106047419
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
SMILESCc1c(CNC(=O)CC2CCNC2)cnn1C
InChIInChI=1S/C12H20N4O/c1-9-11(8-15-16(9)2)7-14-12(17)5-10-3-4-13-6-10/h8,10,13H,3-7H2,1-2H3,(H,14,17)
InChIKeyJWKPMIJZCSEYQY-UHFFFAOYSA-N
XLogP0.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-2-ylacetamide
CID 106047283
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 106047444
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine-2-carboxamide
CID 106047227
1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120550042
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylpiperidine-4-carboxamide
CID 106047304
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxyiminopropanamide
CID 106041077
3-cyclopropyl-3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 106037678
2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 64610210
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide
CID 106033595
2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 106032423
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
CID 79578533

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide (CID 106047419) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide is Cc1c(CNC(=O)CC2CCNC2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide?
The InChIKey is JWKPMIJZCSEYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-11(8-15-16(9)2)7-14-12(17)5-10-3-4-13-6-10/h8,10,13H,3-7H2,1-2H3,(H,14,17).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide has a molecular weight of 236.32 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 106047419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).