5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide

C21H20Cl2N4O3 — CID 35768956

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1
InChIInChI=1S/C21H20Cl2N4O3/c1-3-30-16-10-8-14(9-11-16)20(28)24-25-21(29)18-13(2)26-27(19(18)23)12-15-6-4-5-7-17(15)22/h4-11H,3,12H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyUCKDQPSUTUVJGC-UHFFFAOYSA-N
MW447.32 g/mol
LogP4.02
Rot. Bonds6

About 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide

5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide (PubChem CID 35768956) has the molecular formula C21H20Cl2N4O3 and a molecular weight of 447.32 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide
PubChem CID35768956
Molecular FormulaC21H20Cl2N4O3
Molecular Weight447.32 g/mol
Exact Mass446.09
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1
InChIInChI=1S/C21H20Cl2N4O3/c1-3-30-16-10-8-14(9-11-16)20(28)24-25-21(29)18-13(2)26-27(19(18)23)12-15-6-4-5-7-17(15)22/h4-11H,3,12H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyUCKDQPSUTUVJGC-UHFFFAOYSA-N
XLogP4.02
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.32
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide
CID 78774668
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518
5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide
CID 29200902
5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide
CID 29353447
5-chloro-1-[(2-chlorophenyl)methyl]-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-3-methylpyrazole-4-carbohydrazide
CID 31714742
5-chloro-1-[(2-chlorophenyl)methyl]-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methylpyrazole-4-carboxamide
CID 55859126
N'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide
CID 29355154
5-chloro-1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide
CID 29357963
5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777250
5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-[(dimethylamino)methyl]phenyl]-3-methylpyrazole-4-carboxamide
CID 38438701
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 29213459
[2-(4-methoxyphenyl)-2-oxoethyl] 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate
CID 42988978

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide (CID 35768956) is 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide?
The InChIKey is UCKDQPSUTUVJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O3/c1-3-30-16-10-8-14(9-11-16)20(28)24-25-21(29)18-13(2)26-27(19(18)23)12-15-6-4-5-7-17(15)22/h4-11H,3,12H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide?
5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide has a molecular weight of 447.32 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide is sourced from PubChem (CID 35768956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).