N,N-dimethyl-2-(4-octan-2-ylpyrazol-1-yl)acetamide

C15H27N3O — CID 130194957

IUPACN,N-dimethyl-2-(4-octan-2-ylpyrazol-1-yl)acetamide
SMILESCCCCCCC(C)c1cnn(CC(=O)N(C)C)c1
InChIInChI=1S/C15H27N3O/c1-5-6-7-8-9-13(2)14-10-16-18(11-14)12-15(19)17(3)4/h10-11,13H,5-9,12H2,1-4H3
InChIKeyJFHVNRZRSOKKCV-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.05
Rot. Bonds8

About N,N-dimethyl-2-(4-octan-2-ylpyrazol-1-yl)acetamide

N,N-dimethyl-2-(4-octan-2-ylpyrazol-1-yl)acetamide (PubChem CID 130194957) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-octan-2-ylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-octan-2-ylpyrazol-1-yl)acetamide
PubChem CID130194957
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN,N-dimethyl-2-(4-octan-2-ylpyrazol-1-yl)acetamide
SMILESCCCCCCC(C)c1cnn(CC(=O)N(C)C)c1
InChIInChI=1S/C15H27N3O/c1-5-6-7-8-9-13(2)14-10-16-18(11-14)12-15(19)17(3)4/h10-11,13H,5-9,12H2,1-4H3
InChIKeyJFHVNRZRSOKKCV-UHFFFAOYSA-N
XLogP3.05
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethylpyrazol-4-yl)dodecan-1-ol
CID 115778864
ethyl 3-(4-tridecan-7-ylpyrazol-1-yl)propanoate
CID 167093864
2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide
CID 43575022
N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide
CID 56793742
2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide
CID 43695034
1-(1-ethylpyrazol-4-yl)decan-1-amine
CID 115816084
1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine
CID 115816091
2-(4-bromopyrazol-1-yl)-N-butyl-N-ethylacetamide
CID 78893614
5-amino-4-octan-2-ylpyrazole-1-carboxamide
CID 167102492
3-(1-ethylpyrazol-4-yl)butan-1-amine
CID 81014220
N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine
CID 115816351
4-(1-chloropropyl)-1-dodecylpyrazole
CID 63512488

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-octan-2-ylpyrazol-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(4-octan-2-ylpyrazol-1-yl)acetamide (CID 130194957) is N,N-dimethyl-2-(4-octan-2-ylpyrazol-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(4-octan-2-ylpyrazol-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(4-octan-2-ylpyrazol-1-yl)acetamide is CCCCCCC(C)c1cnn(CC(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-2-(4-octan-2-ylpyrazol-1-yl)acetamide?
The InChIKey is JFHVNRZRSOKKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-6-7-8-9-13(2)14-10-16-18(11-14)12-15(19)17(3)4/h10-11,13H,5-9,12H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(4-octan-2-ylpyrazol-1-yl)acetamide?
N,N-dimethyl-2-(4-octan-2-ylpyrazol-1-yl)acetamide has a molecular weight of 265.40 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-octan-2-ylpyrazol-1-yl)acetamide is sourced from PubChem (CID 130194957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).