N-[(2,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C24H19Cl2N3O3 — CID 155565072

IUPACN-[(2,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H19Cl2N3O3/c1-31-20-11-8-16(9-12-20)23-21(14-29(27-23)19-5-3-2-4-6-19)24(30)28-32-15-17-7-10-18(25)13-22(17)26/h2-14H,15H2,1H3,(H,28,30)
InChIKeyVFKUGOQNVTUTIF-UHFFFAOYSA-N
MW468.34 g/mol
LogP5.72
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-[(2,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 155565072) has the molecular formula C24H19Cl2N3O3 and a molecular weight of 468.34 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID155565072
Molecular FormulaC24H19Cl2N3O3
Molecular Weight468.34 g/mol
Exact Mass467.08
IUPAC NameN-[(2,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H19Cl2N3O3/c1-31-20-11-8-16(9-12-20)23-21(14-29(27-23)19-5-3-2-4-6-19)24(30)28-32-15-17-7-10-18(25)13-22(17)26/h2-14H,15H2,1H3,(H,28,30)
InChIKeyVFKUGOQNVTUTIF-UHFFFAOYSA-N
XLogP5.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.34
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1217387
methyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate
CID 740223
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70694213
3-(4-chlorophenyl)-N-[(4-methoxyphenyl)carbamothioyl]-1-phenylpyrazole-4-carboxamide
CID 72707728
N-[(4-chlorophenyl)carbamothioyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 72707855
3-(4-chlorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 134138877
(E)-1-(4-chlorophenyl)-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-en-1-one
CID 155516566
N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 155555031
N-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 155566765

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 155565072) is N-[(2,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is VFKUGOQNVTUTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O3/c1-31-20-11-8-16(9-12-20)23-21(14-29(27-23)19-5-3-2-4-6-19)24(30)28-32-15-17-7-10-18(25)13-22(17)26/h2-14H,15H2,1H3,(H,28,30).
What are the key properties of N-[(2,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-[(2,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 468.34 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 155565072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).