N-[(4-methoxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide

C25H22N4O3 — CID 3684671

IUPACN-[(4-methoxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)n[nH]2)cc1
InChIInChI=1S/C25H22N4O3/c1-31-21-12-10-18(11-13-21)16-26-29-25(30)24-15-23(27-28-24)20-8-5-9-22(14-20)32-17-19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,27,28)(H,29,30)
InChIKeyUZRVOLMNNKLJMD-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.43
Rot. Bonds8

About N-[(4-methoxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide

N-[(4-methoxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 3684671) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID3684671
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[(4-methoxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)n[nH]2)cc1
InChIInChI=1S/C25H22N4O3/c1-31-21-12-10-18(11-13-21)16-26-29-25(30)24-15-23(27-28-24)20-8-5-9-22(14-20)32-17-19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,27,28)(H,29,30)
InChIKeyUZRVOLMNNKLJMD-UHFFFAOYSA-N
XLogP4.43
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
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

N-[(E)-(4-fluorophenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6888739
3-(4-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4527834
methyl 4-[(Z)-[[3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
CID 6005267
N-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6889101
3-(4-methoxyphenyl)-N-[(E)-(4-phenylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6890817
3-naphthalen-2-yl-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 86771747
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 6889139
N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6167663
3-(3-methoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856863
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6888331
3-(3-methoxyphenyl)-N-[(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1185193
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5445416

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 3684671) is N-[(4-methoxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(C=NNC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)n[nH]2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is UZRVOLMNNKLJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-31-21-12-10-18(11-13-21)16-26-29-25(30)24-15-23(27-28-24)20-8-5-9-22(14-20)32-17-19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,27,28)(H,29,30).
What are the key properties of N-[(4-methoxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[(4-methoxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methylideneamino]-3-(3-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 3684671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).