N-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide

C9H13N3O — CID 89327754

IUPACN-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide
SMILESCC(=O)Nc1cc(C2CC2)nn1C
InChIInChI=1S/C9H13N3O/c1-6(13)10-9-5-8(7-3-4-7)11-12(9)2/h5,7H,3-4H2,1-2H3,(H,10,13)
InChIKeyZSMFGGCWVAATBO-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.26
Rot. Bonds2

About N-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide

N-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide (PubChem CID 89327754) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide
PubChem CID89327754
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide
SMILESCC(=O)Nc1cc(C2CC2)nn1C
InChIInChI=1S/C9H13N3O/c1-6(13)10-9-5-8(7-3-4-7)11-12(9)2/h5,7H,3-4H2,1-2H3,(H,10,13)
InChIKeyZSMFGGCWVAATBO-UHFFFAOYSA-N
XLogP1.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide?
The IUPAC name of N-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide (CID 89327754) is N-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide.
What is the SMILES notation for N-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide?
The canonical SMILES for N-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide is CC(=O)Nc1cc(C2CC2)nn1C.
What is the InChIKey of N-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide?
The InChIKey is ZSMFGGCWVAATBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6(13)10-9-5-8(7-3-4-7)11-12(9)2/h5,7H,3-4H2,1-2H3,(H,10,13).
What are the key properties of N-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide?
N-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide has a molecular weight of 179.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide is sourced from PubChem (CID 89327754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).