N-(cycloheptylideneamino)-2-(3,5-dimethylpyrazol-1-yl)acetamide

C14H22N4O — CID 4854182

IUPACN-(cycloheptylideneamino)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NN=C2CCCCCC2)n1
InChIInChI=1S/C14H22N4O/c1-11-9-12(2)18(17-11)10-14(19)16-15-13-7-5-3-4-6-8-13/h9H,3-8,10H2,1-2H3,(H,16,19)
InChIKeyDICXSNKPQQDILC-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.33
Rot. Bonds3

About N-(cycloheptylideneamino)-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-(cycloheptylideneamino)-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 4854182) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(cycloheptylideneamino)-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID4854182
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(cycloheptylideneamino)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NN=C2CCCCCC2)n1
InChIInChI=1S/C14H22N4O/c1-11-9-12(2)18(17-11)10-14(19)16-15-13-7-5-3-4-6-8-13/h9H,3-8,10H2,1-2H3,(H,16,19)
InChIKeyDICXSNKPQQDILC-UHFFFAOYSA-N
XLogP2.33
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-1-(4-piperidin-1-ylphenyl)ethylideneamino]acetamide
CID 55352961
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
N-(azetidin-3-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66185586
N-(2-aminopropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63733136
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037208
3-(3,5-dimethylpyrazol-1-yl)-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]propanamide
CID 4772295
3-cyclohexyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 7780052
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 62659650
2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19525804
methyl 4-[(E)-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate
CID 46804575

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(cycloheptylideneamino)-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 4854182) is N-(cycloheptylideneamino)-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(cycloheptylideneamino)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(cycloheptylideneamino)-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)NN=C2CCCCCC2)n1.
What is the InChIKey of N-(cycloheptylideneamino)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is DICXSNKPQQDILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-9-12(2)18(17-11)10-14(19)16-15-13-7-5-3-4-6-8-13/h9H,3-8,10H2,1-2H3,(H,16,19).
What are the key properties of N-(cycloheptylideneamino)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-(cycloheptylideneamino)-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 262.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 4854182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).