N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide

C8H13N3O — CID 123806749

IUPACN-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1[nH]nc(NC(C)=O)c1C
InChIInChI=1S/C8H13N3O/c1-4-7-5(2)8(11-10-7)9-6(3)12/h4H2,1-3H3,(H2,9,10,11,12)
InChIKeyAELXNIDHPOFKIF-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.24
Rot. Bonds2

About N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide

N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 123806749) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID123806749
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1[nH]nc(NC(C)=O)c1C
InChIInChI=1S/C8H13N3O/c1-4-7-5(2)8(11-10-7)9-6(3)12/h4H2,1-3H3,(H2,9,10,11,12)
InChIKeyAELXNIDHPOFKIF-UHFFFAOYSA-N
XLogP1.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide (CID 123806749) is N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide is CCc1[nH]nc(NC(C)=O)c1C.
What is the InChIKey of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is AELXNIDHPOFKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-7-5(2)8(11-10-7)9-6(3)12/h4H2,1-3H3,(H2,9,10,11,12).
What are the key properties of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide?
N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 167.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 123806749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).