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

C19H18N4O3 — CID 6865988

IUPAC3-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1
InChIInChI=1S/C19H18N4O3/c1-25-15-7-3-13(4-8-15)12-20-23-19(24)18-11-17(21-22-18)14-5-9-16(26-2)10-6-14/h3-12H,1-2H3,(H,21,22)(H,23,24)/b20-12+
InChIKeyPCWXSOPLZRXYAK-UDWIEESQSA-N
MW350.38 g/mol
LogP2.86
Rot. Bonds6

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

3-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 6865988) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID6865988
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1
InChIInChI=1S/C19H18N4O3/c1-25-15-7-3-13(4-8-15)12-20-23-19(24)18-11-17(21-22-18)14-5-9-16(26-2)10-6-14/h3-12H,1-2H3,(H,21,22)(H,23,24)/b20-12+
InChIKeyPCWXSOPLZRXYAK-UDWIEESQSA-N
XLogP2.86
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 6865988) is 3-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is PCWXSOPLZRXYAK-UDWIEESQSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-25-15-7-3-13(4-8-15)12-20-23-19(24)18-11-17(21-22-18)14-5-9-16(26-2)10-6-14/h3-12H,1-2H3,(H,21,22)(H,23,24)/b20-12+.
What are the key properties of 3-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6865988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).