3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide

C24H21N5O2 — CID 6866659

IUPAC3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(COc2ccccc2-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)cc1
InChIInChI=1S/C24H21N5O2/c1-17-8-10-18(11-9-17)16-31-23-7-3-2-6-20(23)21-13-22(28-27-21)24(30)29-26-15-19-5-4-12-25-14-19/h2-15H,16H2,1H3,(H,27,28)(H,29,30)/b26-15+
InChIKeyMAHYUHNHAWSAPE-CVKSISIWSA-N
MW411.47 g/mol
LogP4.12
Rot. Bonds7

About 3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide

3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 6866659) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID6866659
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(COc2ccccc2-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)cc1
InChIInChI=1S/C24H21N5O2/c1-17-8-10-18(11-9-17)16-31-23-7-3-2-6-20(23)21-13-22(28-27-21)24(30)29-26-15-19-5-4-12-25-14-19/h2-15H,16H2,1H3,(H,27,28)(H,29,30)/b26-15+
InChIKeyMAHYUHNHAWSAPE-CVKSISIWSA-N
XLogP4.12
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.12
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'}

Analyze 3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide (CID 6866659) is 3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide is Cc1ccc(COc2ccccc2-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)cc1.
What is the InChIKey of 3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is MAHYUHNHAWSAPE-CVKSISIWSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-17-8-10-18(11-9-17)16-31-23-7-3-2-6-20(23)21-13-22(28-27-21)24(30)29-26-15-19-5-4-12-25-14-19/h2-15H,16H2,1H3,(H,27,28)(H,29,30)/b26-15+.
What are the key properties of 3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6866659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).