2-(4-bromopyrazol-1-yl)-N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide

C24H21BrN4O3 — CID 6114291

IUPAC2-(4-bromopyrazol-1-yl)-N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
SMILESCOc1cc(/C=N\NC(=O)Cn2cc(Br)cn2)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C24H21BrN4O3/c1-31-23-11-17(12-26-28-24(30)15-29-14-20(25)13-27-29)9-10-22(23)32-16-19-7-4-6-18-5-2-3-8-21(18)19/h2-14H,15-16H2,1H3,(H,28,30)/b26-12-
InChIKeyHIDSYNOVLZHMTL-ZRGSRPPYSA-N
MW493.36 g/mol
LogP4.54
Rot. Bonds8

About 2-(4-bromopyrazol-1-yl)-N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide

2-(4-bromopyrazol-1-yl)-N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide (PubChem CID 6114291) has the molecular formula C24H21BrN4O3 and a molecular weight of 493.36 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
PubChem CID6114291
Molecular FormulaC24H21BrN4O3
Molecular Weight493.36 g/mol
Exact Mass492.08
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
SMILESCOc1cc(/C=N\NC(=O)Cn2cc(Br)cn2)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C24H21BrN4O3/c1-31-23-11-17(12-26-28-24(30)15-29-14-20(25)13-27-29)9-10-22(23)32-16-19-7-4-6-18-5-2-3-8-21(18)19/h2-14H,15-16H2,1H3,(H,28,30)/b26-12-
InChIKeyHIDSYNOVLZHMTL-ZRGSRPPYSA-N
XLogP4.54
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3893797
2-(4-fluorophenyl)-N-[(E)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 96885263
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3627606
4-methoxy-N-[3-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 5154417
1-ethyl-3-[(E)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea
CID 5349905
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 132913572
3,4-dichloro-N-[3-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 4537257
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 4313414
N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide
CID 5027683
N-[(E)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methylbenzamide
CID 96885250
N-[(E)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126330028
2,4-dihydroxy-N-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 4230907

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide (CID 6114291) is 2-(4-bromopyrazol-1-yl)-N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide is COc1cc(/C=N\NC(=O)Cn2cc(Br)cn2)ccc1OCc1cccc2ccccc12.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide?
The InChIKey is HIDSYNOVLZHMTL-ZRGSRPPYSA-N. The full InChI is InChI=1S/C24H21BrN4O3/c1-31-23-11-17(12-26-28-24(30)15-29-14-20(25)13-27-29)9-10-22(23)32-16-19-7-4-6-18-5-2-3-8-21(18)19/h2-14H,15-16H2,1H3,(H,28,30)/b26-12-.
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide?
2-(4-bromopyrazol-1-yl)-N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide has a molecular weight of 493.36 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[(Z)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 6114291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).