N-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide

C16H25N3O — CID 10516553

IUPACN-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide
SMILESCCCCCCC#Cc1c(C)nn(CC)c1NC(C)=O
InChIInChI=1S/C16H25N3O/c1-5-7-8-9-10-11-12-15-13(3)18-19(6-2)16(15)17-14(4)20/h5-10H2,1-4H3,(H,17,20)
InChIKeyKLWKPZYBDNBNFC-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.49
Rot. Bonds6

About N-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide

N-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide (PubChem CID 10516553) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide
PubChem CID10516553
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide
SMILESCCCCCCC#Cc1c(C)nn(CC)c1NC(C)=O
InChIInChI=1S/C16H25N3O/c1-5-7-8-9-10-11-12-15-13(3)18-19(6-2)16(15)17-14(4)20/h5-10H2,1-4H3,(H,17,20)
InChIKeyKLWKPZYBDNBNFC-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide?
The IUPAC name of N-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide (CID 10516553) is N-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide.
What is the SMILES notation for N-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide?
The canonical SMILES for N-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide is CCCCCCC#Cc1c(C)nn(CC)c1NC(C)=O.
What is the InChIKey of N-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide?
The InChIKey is KLWKPZYBDNBNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-7-8-9-10-11-12-15-13(3)18-19(6-2)16(15)17-14(4)20/h5-10H2,1-4H3,(H,17,20).
What are the key properties of N-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide?
N-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide is sourced from PubChem (CID 10516553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).