4-bromo-N-[(E)-(2-ethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide

C14H15BrN4O2 — CID 19577428

IUPAC4-bromo-N-[(E)-(2-ethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
SMILESCCOc1ccccc1/C=N/NC(=O)c1c(Br)cnn1C
InChIInChI=1S/C14H15BrN4O2/c1-3-21-12-7-5-4-6-10(12)8-16-18-14(20)13-11(15)9-17-19(13)2/h4-9H,3H2,1-2H3,(H,18,20)/b16-8+
InChIKeyFTZZJHFKPABODB-LZYBPNLTSA-N
MW351.20 g/mol
LogP2.35
Rot. Bonds5

About 4-bromo-N-[(E)-(2-ethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide

4-bromo-N-[(E)-(2-ethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide (PubChem CID 19577428) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 4-bromo-N-[(E)-(2-ethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(E)-(2-ethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
PubChem CID19577428
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name4-bromo-N-[(E)-(2-ethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
SMILESCCOc1ccccc1/C=N/NC(=O)c1c(Br)cnn1C
InChIInChI=1S/C14H15BrN4O2/c1-3-21-12-7-5-4-6-10(12)8-16-18-14(20)13-11(15)9-17-19(13)2/h4-9H,3H2,1-2H3,(H,18,20)/b16-8+
InChIKeyFTZZJHFKPABODB-LZYBPNLTSA-N
XLogP2.35
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.35
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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Related Compounds

4-bromo-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
CID 6874539
4-bromo-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-5-carboxamide
CID 5434440
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 2593226
N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
CID 4570338
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833649
4-bromo-N-[(3-fluorophenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
CID 1225347

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-(2-ethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[(E)-(2-ethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide (CID 19577428) is 4-bromo-N-[(E)-(2-ethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[(E)-(2-ethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[(E)-(2-ethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide is CCOc1ccccc1/C=N/NC(=O)c1c(Br)cnn1C.
What is the InChIKey of 4-bromo-N-[(E)-(2-ethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
The InChIKey is FTZZJHFKPABODB-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-3-21-12-7-5-4-6-10(12)8-16-18-14(20)13-11(15)9-17-19(13)2/h4-9H,3H2,1-2H3,(H,18,20)/b16-8+.
What are the key properties of 4-bromo-N-[(E)-(2-ethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide?
4-bromo-N-[(E)-(2-ethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-(2-ethoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19577428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).