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

C8H13N3O — CID 19294447

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(C)nn1C
InChIInChI=1S/C8H13N3O/c1-6-4-8(11(3)10-6)5-9-7(2)12/h4H,5H2,1-3H3,(H,9,12)
InChIKeyIULNSGDOQQEEJZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.36
Rot. Bonds2

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

N-[(2,5-dimethylpyrazol-3-yl)methyl]acetamide (PubChem CID 19294447) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]acetamide
PubChem CID19294447
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(C)nn1C
InChIInChI=1S/C8H13N3O/c1-6-4-8(11(3)10-6)5-9-7(2)12/h4H,5H2,1-3H3,(H,9,12)
InChIKeyIULNSGDOQQEEJZ-UHFFFAOYSA-N
XLogP0.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.36
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]acetamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]acetamide (CID 19294447) is N-[(2,5-dimethylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]acetamide is CC(=O)NCc1cc(C)nn1C.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]acetamide?
The InChIKey is IULNSGDOQQEEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-4-8(11(3)10-6)5-9-7(2)12/h4H,5H2,1-3H3,(H,9,12).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]acetamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]acetamide has a molecular weight of 167.21 g/mol, XLogP of 0.36, 2 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]acetamide is sourced from PubChem (CID 19294447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).