N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C24H20N4O3 — CID 155555031

IUPACN-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N/N=C/c2cccc(O)c2)cc1
InChIInChI=1S/C24H20N4O3/c1-31-21-12-10-18(11-13-21)23-22(16-28(27-23)19-7-3-2-4-8-19)24(30)26-25-15-17-6-5-9-20(29)14-17/h2-16,29H,1H3,(H,26,30)/b25-15+
InChIKeyRTNHYHUFNAFZEV-MFKUBSTISA-N
MW412.45 g/mol
LogP4.02
Rot. Bonds6

About N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 155555031) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID155555031
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N/N=C/c2cccc(O)c2)cc1
InChIInChI=1S/C24H20N4O3/c1-31-21-12-10-18(11-13-21)23-22(16-28(27-23)19-7-3-2-4-8-19)24(30)26-25-15-17-6-5-9-20(29)14-17/h2-16,29H,1H3,(H,26,30)/b25-15+
InChIKeyRTNHYHUFNAFZEV-MFKUBSTISA-N
XLogP4.02
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
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

3-(3-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 2377173
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 882240
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
3-(3-Amino-4-methoxyphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 1087054
(2-Hydroxy-5-methoxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CID 2414358
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498
1-benzyl-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 2608796
2,5-Dihydro-2-(4-methoxyphenyl)-7-phenyl-4H-pyrazolo(3,4-d)pyridazin-4-one
CID 6409092
3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 788035
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
3-(4-methoxyphenyl)-N-[(4-methylphenyl)carbamothioyl]-1-phenylpyrazole-4-carboxamide
CID 72707852

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 155555031) is N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N/N=C/c2cccc(O)c2)cc1.
What is the InChIKey of N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is RTNHYHUFNAFZEV-MFKUBSTISA-N. The full InChI is InChI=1S/C24H20N4O3/c1-31-21-12-10-18(11-13-21)23-22(16-28(27-23)19-7-3-2-4-8-19)24(30)26-25-15-17-6-5-9-20(29)14-17/h2-16,29H,1H3,(H,26,30)/b25-15+.
What are the key properties of N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 155555031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).