2-(1-methylpyrazol-4-yl)-N-nonylacetamide

C15H27N3O — CID 60616599

IUPAC2-(1-methylpyrazol-4-yl)-N-nonylacetamide
SMILESCCCCCCCCCNC(=O)Cc1cnn(C)c1
InChIInChI=1S/C15H27N3O/c1-3-4-5-6-7-8-9-10-16-15(19)11-14-12-17-18(2)13-14/h12-13H,3-11H2,1-2H3,(H,16,19)
InChIKeyLDTADCIWZIDOIA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.83
Rot. Bonds10

About 2-(1-methylpyrazol-4-yl)-N-nonylacetamide

2-(1-methylpyrazol-4-yl)-N-nonylacetamide (PubChem CID 60616599) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-nonylacetamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-nonylacetamide
PubChem CID60616599
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(1-methylpyrazol-4-yl)-N-nonylacetamide
SMILESCCCCCCCCCNC(=O)Cc1cnn(C)c1
InChIInChI=1S/C15H27N3O/c1-3-4-5-6-7-8-9-10-16-15(19)11-14-12-17-18(2)13-14/h12-13H,3-11H2,1-2H3,(H,16,19)
InChIKeyLDTADCIWZIDOIA-UHFFFAOYSA-N
XLogP2.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
5-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119234671
1-butyl-3-(1-methylpyrazol-4-yl)urea
CID 115581879
N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
CID 119547581
1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-pentylguanidine
CID 111129039
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107032863
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
2-(2-hydroxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 78990918

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-nonylacetamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-nonylacetamide (CID 60616599) is 2-(1-methylpyrazol-4-yl)-N-nonylacetamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-nonylacetamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-nonylacetamide is CCCCCCCCCNC(=O)Cc1cnn(C)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-nonylacetamide?
The InChIKey is LDTADCIWZIDOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-4-5-6-7-8-9-10-16-15(19)11-14-12-17-18(2)13-14/h12-13H,3-11H2,1-2H3,(H,16,19).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-nonylacetamide?
2-(1-methylpyrazol-4-yl)-N-nonylacetamide has a molecular weight of 265.40 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-nonylacetamide is sourced from PubChem (CID 60616599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).