N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-methoxybenzamide

C16H20N4O2 — CID 5410787

IUPACN-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-methoxybenzamide
SMILESCCn1nc(C)c(/C=N\NC(=O)c2cccc(OC)c2)c1C
InChIInChI=1S/C16H20N4O2/c1-5-20-12(3)15(11(2)19-20)10-17-18-16(21)13-7-6-8-14(9-13)22-4/h6-10H,5H2,1-4H3,(H,18,21)/b17-10-
InChIKeyYPMYAACWUFNTEB-YVLHZVERSA-N
MW300.36 g/mol
LogP2.29
Rot. Bonds5

About N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-methoxybenzamide

N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-methoxybenzamide (PubChem CID 5410787) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-methoxybenzamide
PubChem CID5410787
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-methoxybenzamide
SMILESCCn1nc(C)c(/C=N\NC(=O)c2cccc(OC)c2)c1C
InChIInChI=1S/C16H20N4O2/c1-5-20-12(3)15(11(2)19-20)10-17-18-16(21)13-7-6-8-14(9-13)22-4/h6-10H,5H2,1-4H3,(H,18,21)/b17-10-
InChIKeyYPMYAACWUFNTEB-YVLHZVERSA-N
XLogP2.29
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-methoxybenzamide (CID 5410787) is N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-methoxybenzamide is CCn1nc(C)c(/C=N\NC(=O)c2cccc(OC)c2)c1C.
What is the InChIKey of N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-methoxybenzamide?
The InChIKey is YPMYAACWUFNTEB-YVLHZVERSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-5-20-12(3)15(11(2)19-20)10-17-18-16(21)13-7-6-8-14(9-13)22-4/h6-10H,5H2,1-4H3,(H,18,21)/b17-10-.
What are the key properties of N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-methoxybenzamide?
N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-methoxybenzamide has a molecular weight of 300.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 5410787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).