N-[4-(2-cyclohexylethynyl)-1,3-dimethylpyrazol-5-yl]acetamide

C15H21N3O — CID 118797994

IUPACN-[4-(2-cyclohexylethynyl)-1,3-dimethylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(C#CC2CCCCC2)c(C)nn1C
InChIInChI=1S/C15H21N3O/c1-11-14(10-9-13-7-5-4-6-8-13)15(16-12(2)19)18(3)17-11/h13H,4-8H2,1-3H3,(H,16,19)
InChIKeyZOZUKECTFYYGRD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.62
Rot. Bonds1

About N-[4-(2-cyclohexylethynyl)-1,3-dimethylpyrazol-5-yl]acetamide

N-[4-(2-cyclohexylethynyl)-1,3-dimethylpyrazol-5-yl]acetamide (PubChem CID 118797994) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[4-(2-cyclohexylethynyl)-1,3-dimethylpyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-cyclohexylethynyl)-1,3-dimethylpyrazol-5-yl]acetamide
PubChem CID118797994
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[4-(2-cyclohexylethynyl)-1,3-dimethylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(C#CC2CCCCC2)c(C)nn1C
InChIInChI=1S/C15H21N3O/c1-11-14(10-9-13-7-5-4-6-8-13)15(16-12(2)19)18(3)17-11/h13H,4-8H2,1-3H3,(H,16,19)
InChIKeyZOZUKECTFYYGRD-UHFFFAOYSA-N
XLogP2.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclohexylethynyl)-1,3-dimethyl-1H-pyrazol-5-amine
CID 118797988
N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide
CID 132295098
N-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide
CID 1214840
N-(1,3-dimethyl-4-prop-1-ynylpyrazol-5-yl)acetamide
CID 89819456
N-(2,4,5-trimethylpyrazol-3-yl)acetamide
CID 127292748
N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide
CID 139801575
N-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide
CID 145769795
N-(1-ethyl-3-methyl-4-oct-1-ynylpyrazol-5-yl)acetamide
CID 10516553
N-(1,3-dimethyl-1H-pyrazol-5-yl)cyclohexanecarboxamide
CID 25813231
3-cyclohexyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291300
N-(2-ethyl-5-methylpyrazol-3-yl)cyclohexanecarboxamide
CID 35592589
N-(5-methyl-2-propylpyrazol-3-yl)cyclohexanecarboxamide
CID 35592612

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclohexylethynyl)-1,3-dimethylpyrazol-5-yl]acetamide?
The IUPAC name of N-[4-(2-cyclohexylethynyl)-1,3-dimethylpyrazol-5-yl]acetamide (CID 118797994) is N-[4-(2-cyclohexylethynyl)-1,3-dimethylpyrazol-5-yl]acetamide.
What is the SMILES notation for N-[4-(2-cyclohexylethynyl)-1,3-dimethylpyrazol-5-yl]acetamide?
The canonical SMILES for N-[4-(2-cyclohexylethynyl)-1,3-dimethylpyrazol-5-yl]acetamide is CC(=O)Nc1c(C#CC2CCCCC2)c(C)nn1C.
What is the InChIKey of N-[4-(2-cyclohexylethynyl)-1,3-dimethylpyrazol-5-yl]acetamide?
The InChIKey is ZOZUKECTFYYGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-14(10-9-13-7-5-4-6-8-13)15(16-12(2)19)18(3)17-11/h13H,4-8H2,1-3H3,(H,16,19).
What are the key properties of N-[4-(2-cyclohexylethynyl)-1,3-dimethylpyrazol-5-yl]acetamide?
N-[4-(2-cyclohexylethynyl)-1,3-dimethylpyrazol-5-yl]acetamide has a molecular weight of 259.35 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyclohexylethynyl)-1,3-dimethylpyrazol-5-yl]acetamide is sourced from PubChem (CID 118797994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).