2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide

C20H27N5O — CID 55352961

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cn1nc(C)cc1C)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H27N5O/c1-15-13-16(2)25(23-15)14-20(26)22-21-17(3)18-7-9-19(10-8-18)24-11-5-4-6-12-24/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,22,26)/b21-17+
InChIKeyRYPDELVHDXSIMY-HEHNFIMWSA-N
MW353.47 g/mol
LogP3.03
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide (PubChem CID 55352961) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide
PubChem CID55352961
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cn1nc(C)cc1C)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H27N5O/c1-15-13-16(2)25(23-15)14-20(26)22-21-17(3)18-7-9-19(10-8-18)24-11-5-4-6-12-24/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,22,26)/b21-17+
InChIKeyRYPDELVHDXSIMY-HEHNFIMWSA-N
XLogP3.03
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 33474
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N,N-diethyl-2-[4-[2-fluoro-4-(5-methyl-1H-pyrazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055750
N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 6907378
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)propanamide
CID 9550893
2-(1H-1,2,3-benzotriazol-1-yl)-N'-[4-(dimethylamino)benzylidene]acetohydrazide
CID 9557234
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CID 9563419

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide (CID 55352961) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide is C/C(=N\NC(=O)Cn1nc(C)cc1C)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide?
The InChIKey is RYPDELVHDXSIMY-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15-13-16(2)25(23-15)14-20(26)22-21-17(3)18-7-9-19(10-8-18)24-11-5-4-6-12-24/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,22,26)/b21-17+.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 55352961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).