3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide

C12H21N3O — CID 82700121

IUPAC3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide
SMILESCCc1cc(CC)n(CCC(=O)N(C)C)n1
InChIInChI=1S/C12H21N3O/c1-5-10-9-11(6-2)15(13-10)8-7-12(16)14(3)4/h9H,5-8H2,1-4H3
InChIKeyWOVUJJMGZAMXLL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.49
Rot. Bonds5

About 3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide

3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide (PubChem CID 82700121) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide
PubChem CID82700121
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide
SMILESCCc1cc(CC)n(CCC(=O)N(C)C)n1
InChIInChI=1S/C12H21N3O/c1-5-10-9-11(6-2)15(13-10)8-7-12(16)14(3)4/h9H,5-8H2,1-4H3
InChIKeyWOVUJJMGZAMXLL-UHFFFAOYSA-N
XLogP1.49
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate
CID 82693116
5-(3,5-diethylpyrazol-1-yl)pentanoic acid
CID 82693000
2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 82698622
3,5-diethyl-1-propylpyrazole
CID 82699697
4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide
CID 82699974
3-(3,5-diethylpyrazol-1-yl)propan-1-ol
CID 82694262
methyl 4-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)butanoate
CID 82694955
N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide
CID 82700538
N-(3-amino-3-sulfanylidenepropyl)-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide
CID 82693033
5-(3,5-diethylpyrazol-1-yl)-N'-hydroxypentanimidamide
CID 82695391
1-(3,3-dimethylbutyl)-3,5-diethylpyrazole
CID 82698927
4-(3,5-diethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 82695681

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide (CID 82700121) is 3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide is CCc1cc(CC)n(CCC(=O)N(C)C)n1.
What is the InChIKey of 3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide?
The InChIKey is WOVUJJMGZAMXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-10-9-11(6-2)15(13-10)8-7-12(16)14(3)4/h9H,5-8H2,1-4H3.
What are the key properties of 3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide?
3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide has a molecular weight of 223.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diethylpyrazol-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 82700121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).