1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide

C18H16Cl2N4O — CID 59703686

IUPAC1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide
SMILESCc1ccc(-c2c(C)c(C(=O)NN)nn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H16Cl2N4O/c1-10-3-5-12(6-4-10)17-11(2)16(18(25)22-21)23-24(17)15-8-7-13(19)9-14(15)20/h3-9H,21H2,1-2H3,(H,22,25)
InChIKeyOWNUNOVUYIBXKW-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.07
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide

1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide (PubChem CID 59703686) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide
PubChem CID59703686
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide
SMILESCc1ccc(-c2c(C)c(C(=O)NN)nn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H16Cl2N4O/c1-10-3-5-12(6-4-10)17-11(2)16(18(25)22-21)23-24(17)15-8-7-13(19)9-14(15)20/h3-9H,21H2,1-2H3,(H,22,25)
InChIKeyOWNUNOVUYIBXKW-UHFFFAOYSA-N
XLogP4.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide (CID 59703686) is 1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide is Cc1ccc(-c2c(C)c(C(=O)NN)nn2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide?
The InChIKey is OWNUNOVUYIBXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-10-3-5-12(6-4-10)17-11(2)16(18(25)22-21)23-24(17)15-8-7-13(19)9-14(15)20/h3-9H,21H2,1-2H3,(H,22,25).
What are the key properties of 1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide?
1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide has a molecular weight of 375.26 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 59703686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).