5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide

C14H15N5O3 — CID 57401603

IUPAC5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cn[nH]c2NC(C)=O)cc1
InChIInChI=1S/C14H15N5O3/c1-9(20)17-13-12(8-16-18-13)14(21)19-15-7-10-3-5-11(22-2)6-4-10/h3-8H,1-2H3,(H,19,21)(H2,16,17,18,20)/b15-7+
InChIKeyDCROJCMYLIQJSR-VIZOYTHASA-N
MW301.31 g/mol
LogP1.14
Rot. Bonds5

About 5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide

5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide (PubChem CID 57401603) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
PubChem CID57401603
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cn[nH]c2NC(C)=O)cc1
InChIInChI=1S/C14H15N5O3/c1-9(20)17-13-12(8-16-18-13)14(21)19-15-7-10-3-5-11(22-2)6-4-10/h3-8H,1-2H3,(H,19,21)(H2,16,17,18,20)/b15-7+
InChIKeyDCROJCMYLIQJSR-VIZOYTHASA-N
XLogP1.14
TPSA108.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.14
H-Bond Donors ≤ 53
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

3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
CID 4614561
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 24939056
2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 5379610
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
N-[(4-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 583796
N-[(E)-(4-methoxyphenyl)methylideneamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 155815523
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
3,5-dibromo-2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 5331706
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide (CID 57401603) is 5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide is COc1ccc(/C=N/NC(=O)c2cn[nH]c2NC(C)=O)cc1.
What is the InChIKey of 5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?
The InChIKey is DCROJCMYLIQJSR-VIZOYTHASA-N. The full InChI is InChI=1S/C14H15N5O3/c1-9(20)17-13-12(8-16-18-13)14(21)19-15-7-10-3-5-11(22-2)6-4-10/h3-8H,1-2H3,(H,19,21)(H2,16,17,18,20)/b15-7+.
What are the key properties of 5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide?
5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 57401603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).