3-(3,5-dimethylpyrazol-1-yl)-N-propylpropanamide

C11H19N3O — CID 19557488

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1nc(C)cc1C
InChIInChI=1S/C11H19N3O/c1-4-6-12-11(15)5-7-14-10(3)8-9(2)13-14/h8H,4-7H2,1-3H3,(H,12,15)
InChIKeyLJWVQPCPHZIPOK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.42
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-N-propylpropanamide

3-(3,5-dimethylpyrazol-1-yl)-N-propylpropanamide (PubChem CID 19557488) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-propylpropanamide
PubChem CID19557488
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1nc(C)cc1C
InChIInChI=1S/C11H19N3O/c1-4-6-12-11(15)5-7-14-10(3)8-9(2)13-14/h8H,4-7H2,1-3H3,(H,12,15)
InChIKeyLJWVQPCPHZIPOK-UHFFFAOYSA-N
XLogP1.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-propylpropanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-propylpropanamide (CID 19557488) is 3-(3,5-dimethylpyrazol-1-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-propylpropanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-propylpropanamide is CCCNC(=O)CCn1nc(C)cc1C.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-propylpropanamide?
The InChIKey is LJWVQPCPHZIPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-6-12-11(15)5-7-14-10(3)8-9(2)13-14/h8H,4-7H2,1-3H3,(H,12,15).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-propylpropanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-propylpropanamide has a molecular weight of 209.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-propylpropanamide is sourced from PubChem (CID 19557488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).