N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide

C20H20N4O3 — CID 1014815

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C=NNC(=O)c2ccn(C)n2)ccc1OCc1ccccc1
InChIInChI=1S/C20H20N4O3/c1-24-11-10-17(23-24)20(25)22-21-13-16-8-9-18(19(12-16)26-2)27-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,22,25)
InChIKeyGFQVUPNNJSNKRY-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.77
Rot. Bonds7

About N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide (PubChem CID 1014815) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
PubChem CID1014815
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C=NNC(=O)c2ccn(C)n2)ccc1OCc1ccccc1
InChIInChI=1S/C20H20N4O3/c1-24-11-10-17(23-24)20(25)22-21-13-16-8-9-18(19(12-16)26-2)27-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,22,25)
InChIKeyGFQVUPNNJSNKRY-UHFFFAOYSA-N
XLogP2.77
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.77
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

N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 171983195
2-hydroxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6291203
2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4167953
2,5-dihydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 17126913
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
1-ethyl-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523247
ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902439
3-hydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6906540
2-methoxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-5-nitrobenzamide
CID 126264618
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6880150
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932965
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide (CID 1014815) is N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide is COc1cc(C=NNC(=O)c2ccn(C)n2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The InChIKey is GFQVUPNNJSNKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-24-11-10-17(23-24)20(25)22-21-13-16-8-9-18(19(12-16)26-2)27-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,22,25).
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 1014815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).