1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one

C15H25N3O2 — CID 116591641

IUPAC1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one
SMILESCOCCNCC(=O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H25N3O2/c1-20-10-8-16-12-15(19)11-13-7-9-18(17-13)14-5-3-2-4-6-14/h7,9,14,16H,2-6,8,10-12H2,1H3
InChIKeyRCTSTHBLJPUAIP-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.74
Rot. Bonds8

About 1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one

1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one (PubChem CID 116591641) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one
PubChem CID116591641
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one
SMILESCOCCNCC(=O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H25N3O2/c1-20-10-8-16-12-15(19)11-13-7-9-18(17-13)14-5-3-2-4-6-14/h7,9,14,16H,2-6,8,10-12H2,1H3
InChIKeyRCTSTHBLJPUAIP-UHFFFAOYSA-N
XLogP1.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116589010
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one
CID 116559419
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 64778110
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
CID 79952722
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
CID 79197509
1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105107351

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one (CID 116591641) is 1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one is COCCNCC(=O)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one?
The InChIKey is RCTSTHBLJPUAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-20-10-8-16-12-15(19)11-13-7-9-18(17-13)14-5-3-2-4-6-14/h7,9,14,16H,2-6,8,10-12H2,1H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one?
1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one has a molecular weight of 279.38 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-3-(2-methoxyethylamino)propan-2-one is sourced from PubChem (CID 116591641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).