2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide

C13H22N4O — CID 63299515

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide
SMILESCCN(C(=O)Cn1nc(C)cc1C)C1CCNC1
InChIInChI=1S/C13H22N4O/c1-4-16(12-5-6-14-8-12)13(18)9-17-11(3)7-10(2)15-17/h7,12,14H,4-6,8-9H2,1-3H3
InChIKeyLJAPADCUSXXRIX-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.71
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide

2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide (PubChem CID 63299515) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide
PubChem CID63299515
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide
SMILESCCN(C(=O)Cn1nc(C)cc1C)C1CCNC1
InChIInChI=1S/C13H22N4O/c1-4-16(12-5-6-14-8-12)13(18)9-17-11(3)7-10(2)15-17/h7,12,14H,4-6,8-9H2,1-3H3
InChIKeyLJAPADCUSXXRIX-UHFFFAOYSA-N
XLogP0.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-ethylacetamide
CID 55028122
2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119550121
N-(azepan-4-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 104974452
2-(3,5-dimethylpyrazol-1-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119449670
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide
CID 82177104
N-ethyl-2-(4-hydroxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 60807189
ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate
CID 60805526
2-ethyl-5-methyl-N-piperidin-3-yl-N-propylpyrazole-3-carboxamide
CID 66128479
3-chloro-N-ethyl-N-pyrrolidin-3-ylpropanamide
CID 165439782
2-(3,5-dimethylpyrazol-1-yl)-N-(1-piperidin-3-ylethyl)acetamide
CID 62045029
N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
CID 107971834
N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806005

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide (CID 63299515) is 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide is CCN(C(=O)Cn1nc(C)cc1C)C1CCNC1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is LJAPADCUSXXRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-16(12-5-6-14-8-12)13(18)9-17-11(3)7-10(2)15-17/h7,12,14H,4-6,8-9H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 250.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 63299515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).