4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide

C17H15BrN4O — CID 1273648

IUPAC4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1nn(C)cc1Br)c1ccc2ccccc2c1
InChIInChI=1S/C17H15BrN4O/c1-11(13-8-7-12-5-3-4-6-14(12)9-13)19-20-17(23)16-15(18)10-22(2)21-16/h3-10H,1-2H3,(H,20,23)
InChIKeyZUMITLSSOGUZDG-UHFFFAOYSA-N
MW371.24 g/mol
LogP3.49
Rot. Bonds3

About 4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide

4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide (PubChem CID 1273648) has the molecular formula C17H15BrN4O and a molecular weight of 371.24 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide
PubChem CID1273648
Molecular FormulaC17H15BrN4O
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC Name4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide
SMILESCC(=NNC(=O)c1nn(C)cc1Br)c1ccc2ccccc2c1
InChIInChI=1S/C17H15BrN4O/c1-11(13-8-7-12-5-3-4-6-14(12)9-13)19-20-17(23)16-15(18)10-22(2)21-16/h3-10H,1-2H3,(H,20,23)
InChIKeyZUMITLSSOGUZDG-UHFFFAOYSA-N
XLogP3.49
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-naphthalen-2-ylethylideneamino)benzamide
CID 4299606
6-methyl-N-(1-naphthalen-2-ylethylideneamino)pyridine-2-carboxamide
CID 174219685
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
N-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
2-methyl-N-(1-naphthalen-2-ylethylideneamino)pyridine-4-carboxamide
CID 174219694
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
N-[(E)-1-naphthalen-2-ylethylideneamino]furan-2-carboxamide
CID 7460942
N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid
CID 75409659
3-methyl-N-(1-naphthalen-2-ylethylideneamino)-4-nitrobenzamide
CID 5109647
3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 1362119
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide (CID 1273648) is 4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide is CC(=NNC(=O)c1nn(C)cc1Br)c1ccc2ccccc2c1.
What is the InChIKey of 4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide?
The InChIKey is ZUMITLSSOGUZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O/c1-11(13-8-7-12-5-3-4-6-14(12)9-13)19-20-17(23)16-15(18)10-22(2)21-16/h3-10H,1-2H3,(H,20,23).
What are the key properties of 4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide?
4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide has a molecular weight of 371.24 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(1-naphthalen-2-ylethylideneamino)pyrazole-3-carboxamide is sourced from PubChem (CID 1273648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).