N-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

C13H20N4O — CID 75417655

IUPACN-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCC1CC/C(=N\NC(=O)Cc2cc(C)[nH]n2)C1
InChIInChI=1S/C13H20N4O/c1-3-10-4-5-11(7-10)15-17-13(18)8-12-6-9(2)14-16-12/h6,10H,3-5,7-8H2,1-2H3,(H,14,16)(H,17,18)/b15-11+
InChIKeyUQGADJWTDGLJFO-RVDMUPIBSA-N
MW248.33 g/mol
LogP1.94
Rot. Bonds4

About N-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide

N-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 75417655) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID75417655
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCC1CC/C(=N\NC(=O)Cc2cc(C)[nH]n2)C1
InChIInChI=1S/C13H20N4O/c1-3-10-4-5-11(7-10)15-17-13(18)8-12-6-9(2)14-16-12/h6,10H,3-5,7-8H2,1-2H3,(H,14,16)(H,17,18)/b15-11+
InChIKeyUQGADJWTDGLJFO-RVDMUPIBSA-N
XLogP1.94
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 75417655) is N-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is CCC1CC/C(=N\NC(=O)Cc2cc(C)[nH]n2)C1.
What is the InChIKey of N-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is UQGADJWTDGLJFO-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-10-4-5-11(7-10)15-17-13(18)8-12-6-9(2)14-16-12/h6,10H,3-5,7-8H2,1-2H3,(H,14,16)(H,17,18)/b15-11+.
What are the key properties of N-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
N-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethylcyclopentylidene)amino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 75417655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).