1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide

C23H25ClN4O4 — CID 46671387

IUPAC1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1OC
InChIInChI=1S/C23H25ClN4O4/c1-5-32-19-11-6-15(12-20(19)31-4)22(29)26-27-23(30)18-13-25-28(21(18)14(2)3)17-9-7-16(24)8-10-17/h6-14H,5H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyLWGISVLDMIGUTJ-UHFFFAOYSA-N
MW456.93 g/mol
LogP4.13
Rot. Bonds7

About 1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide

1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide (PubChem CID 46671387) has the molecular formula C23H25ClN4O4 and a molecular weight of 456.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide
PubChem CID46671387
Molecular FormulaC23H25ClN4O4
Molecular Weight456.93 g/mol
Exact Mass456.16
IUPAC Name1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1OC
InChIInChI=1S/C23H25ClN4O4/c1-5-32-19-11-6-15(12-20(19)31-4)22(29)26-27-23(30)18-13-25-28(21(18)14(2)3)17-9-7-16(24)8-10-17/h6-14H,5H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyLWGISVLDMIGUTJ-UHFFFAOYSA-N
XLogP4.13
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 43058699
1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 25441787
N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 37081472
1-(4-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 43057524
ethyl 1-[4-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 43070191
1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55585196
N'-(4-butoxy-3-methoxybenzoyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 46587133
N'-[2-(5-chloro-2-methoxyphenyl)acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 9090512
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119383145
1-(4-chlorophenyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]-5-propan-2-ylpyrazole-4-carbohydrazide
CID 46671540
N-(2-benzamidoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31839795
N-(3-aminobutyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119496336

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide?
The IUPAC name of 1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide (CID 46671387) is 1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide?
The canonical SMILES for 1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1OC.
What is the InChIKey of 1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide?
The InChIKey is LWGISVLDMIGUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4/c1-5-32-19-11-6-15(12-20(19)31-4)22(29)26-27-23(30)18-13-25-28(21(18)14(2)3)17-9-7-16(24)8-10-17/h6-14H,5H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide?
1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide has a molecular weight of 456.93 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 46671387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).