N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide

C13H14N4O3 — CID 6301199

IUPACN-[(Z)-(4-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)C2=NNC(=O)C2C)cc1
InChIInChI=1S/C13H14N4O3/c1-8-11(15-17-12(8)18)13(19)16-14-7-9-3-5-10(20-2)6-4-9/h3-8H,1-2H3,(H,16,19)(H,17,18)/b14-7-
InChIKeyCTZPLJPITDBMHQ-AUWJEWJLSA-N
MW274.28 g/mol
LogP0.27
Rot. Bonds4

About N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide

N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide (PubChem CID 6301199) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
PubChem CID6301199
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-[(Z)-(4-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)C2=NNC(=O)C2C)cc1
InChIInChI=1S/C13H14N4O3/c1-8-11(15-17-12(8)18)13(19)16-14-7-9-3-5-10(20-2)6-4-9/h3-8H,1-2H3,(H,16,19)(H,17,18)/b14-7-
InChIKeyCTZPLJPITDBMHQ-AUWJEWJLSA-N
XLogP0.27
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
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)-(4-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide (CID 6301199) is N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide is COc1ccc(/C=N\NC(=O)C2=NNC(=O)C2C)cc1.
What is the InChIKey of N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The InChIKey is CTZPLJPITDBMHQ-AUWJEWJLSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8-11(15-17-12(8)18)13(19)16-14-7-9-3-5-10(20-2)6-4-9/h3-8H,1-2H3,(H,16,19)(H,17,18)/b14-7-.
What are the key properties of N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 6301199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).