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

C18H16Cl2N4O — CID 78774668

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NNc1ccccc1
InChIInChI=1S/C18H16Cl2N4O/c1-12-16(18(25)22-21-14-8-3-2-4-9-14)17(20)24(23-12)11-13-7-5-6-10-15(13)19/h2-10,21H,11H2,1H3,(H,22,25)
InChIKeyBAVWDFYDJBXMIA-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.30
Rot. Bonds5

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

5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide (PubChem CID 78774668) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide
PubChem CID78774668
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NNc1ccccc1
InChIInChI=1S/C18H16Cl2N4O/c1-12-16(18(25)22-21-14-8-3-2-4-9-14)17(20)24(23-12)11-13-7-5-6-10-15(13)19/h2-10,21H,11H2,1H3,(H,22,25)
InChIKeyBAVWDFYDJBXMIA-UHFFFAOYSA-N
XLogP4.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-N-cyclohexyl-3-methylpyrazole-4-carboxamide
CID 29200902
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'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-3-methylpyrazole-4-carbohydrazide
CID 29357963
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
5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide
CID 35768956
N'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide
CID 29355154
5-chloro-1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide
CID 29200021
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N'-(2,4,6-trichlorophenyl)pyrazole-4-carbohydrazide
CID 29204279
5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777250
5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(4-hydroxyphenyl)propyl]-3-methylpyrazole-4-carboxamide
CID 86973065
1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 2451344

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide (CID 78774668) is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NNc1ccccc1.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide?
The InChIKey is BAVWDFYDJBXMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-12-16(18(25)22-21-14-8-3-2-4-9-14)17(20)24(23-12)11-13-7-5-6-10-15(13)19/h2-10,21H,11H2,1H3,(H,22,25).
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide?
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide has a molecular weight of 375.26 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 78774668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).