N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide

C9H15N3O — CID 19294429

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc(C)nn1C
InChIInChI=1S/C9H15N3O/c1-4-9(13)10-6-8-5-7(2)11-12(8)3/h5H,4,6H2,1-3H3,(H,10,13)
InChIKeyLUEZXXANBQFQQS-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.75
Rot. Bonds3

About N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide (PubChem CID 19294429) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide
PubChem CID19294429
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc(C)nn1C
InChIInChI=1S/C9H15N3O/c1-4-9(13)10-6-8-5-7(2)11-12(8)3/h5H,4,6H2,1-3H3,(H,10,13)
InChIKeyLUEZXXANBQFQQS-UHFFFAOYSA-N
XLogP0.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide (CID 19294429) is N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide is CCC(=O)NCc1cc(C)nn1C.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide?
The InChIKey is LUEZXXANBQFQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-9(13)10-6-8-5-7(2)11-12(8)3/h5H,4,6H2,1-3H3,(H,10,13).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide has a molecular weight of 181.24 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 19294429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).