3-(3,5-dimethylpyrazol-1-yl)propanamide

C8H13N3O — CID 767358

IUPAC3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(N)=O)n1
InChIInChI=1S/C8H13N3O/c1-6-5-7(2)11(10-6)4-3-8(9)12/h5H,3-4H2,1-2H3,(H2,9,12)
InChIKeyCKUCWVQTACCIDT-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.38
Rot. Bonds3

About 3-(3,5-dimethylpyrazol-1-yl)propanamide

3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 767358) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID767358
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(N)=O)n1
InChIInChI=1S/C8H13N3O/c1-6-5-7(2)11(10-6)4-3-8(9)12/h5H,3-4H2,1-2H3,(H2,9,12)
InChIKeyCKUCWVQTACCIDT-UHFFFAOYSA-N
XLogP0.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.38
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)propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 767358) is 3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(CCC(N)=O)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is CKUCWVQTACCIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-5-7(2)11(10-6)4-3-8(9)12/h5H,3-4H2,1-2H3,(H2,9,12).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)propanamide?
3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 167.21 g/mol, XLogP of 0.38, 3 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)propanamide is sourced from PubChem (CID 767358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).