3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

C25H24N4O5 — CID 6900037

IUPAC3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)cc(OC)c1OC
InChIInChI=1S/C25H24N4O5/c1-31-20-10-9-16-7-5-6-8-17(16)23(20)18-13-19(28-27-18)25(30)29-26-14-15-11-21(32-2)24(34-4)22(12-15)33-3/h5-14H,1-4H3,(H,27,28)(H,29,30)/b26-14+
InChIKeyFINDALUDNLFCCP-VULFUBBASA-N
MW460.49 g/mol
LogP4.03
Rot. Bonds8

About 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 6900037) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID6900037
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC Name3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)cc(OC)c1OC
InChIInChI=1S/C25H24N4O5/c1-31-20-10-9-16-7-5-6-8-17(16)23(20)18-13-19(28-27-18)25(30)29-26-14-15-11-21(32-2)24(34-4)22(12-15)33-3/h5-14H,1-4H3,(H,27,28)(H,29,30)/b26-14+
InChIKeyFINDALUDNLFCCP-VULFUBBASA-N
XLogP4.03
TPSA107.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

methyl 4-[[[3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
CID 1184963
3-(2-methoxynaphthalen-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6869977
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide
CID 136861823
N-[(2,4-dihydroxyphenyl)methylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide
CID 1184957
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890833
3-(1-methylpyrrol-2-yl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5445405
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(2-methoxynaphthalen-1-yl)-1H-pyrazole-5-carboxamide
CID 5450266
3-(2,5-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4528877
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
CID 1351699
N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 760975
3-(3,4-dimethoxyphenyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135625974
3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 6910456

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 6900037) is 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is COc1cc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)cc(OC)c1OC.
What is the InChIKey of 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is FINDALUDNLFCCP-VULFUBBASA-N. The full InChI is InChI=1S/C25H24N4O5/c1-31-20-10-9-16-7-5-6-8-17(16)23(20)18-13-19(28-27-18)25(30)29-26-14-15-11-21(32-2)24(34-4)22(12-15)33-3/h5-14H,1-4H3,(H,27,28)(H,29,30)/b26-14+.
What are the key properties of 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxynaphthalen-1-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6900037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).