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

C20H20Cl2N4O2S — CID 31714742

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-3-methylpyrazole-4-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1C
InChIInChI=1S/C20H20Cl2N4O2S/c1-4-15-11(2)9-16(29-15)19(27)23-24-20(28)17-12(3)25-26(18(17)22)10-13-7-5-6-8-14(13)21/h5-9H,4,10H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyAMQDZGKRLZABEN-UHFFFAOYSA-N
MW451.38 g/mol
LogP4.55
Rot. Bonds5

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

5-chloro-1-[(2-chlorophenyl)methyl]-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-3-methylpyrazole-4-carbohydrazide (PubChem CID 31714742) has the molecular formula C20H20Cl2N4O2S and a molecular weight of 451.38 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-3-methylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-3-methylpyrazole-4-carbohydrazide
PubChem CID31714742
Molecular FormulaC20H20Cl2N4O2S
Molecular Weight451.38 g/mol
Exact Mass450.07
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-3-methylpyrazole-4-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1C
InChIInChI=1S/C20H20Cl2N4O2S/c1-4-15-11(2)9-16(29-15)19(27)23-24-20(28)17-12(3)25-26(18(17)22)10-13-7-5-6-8-14(13)21/h5-9H,4,10H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyAMQDZGKRLZABEN-UHFFFAOYSA-N
XLogP4.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.38
LogP ≤ 54.55
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
5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide
CID 35768956
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
N'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide
CID 29355154
5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide
CID 29200902
5-chloro-1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide
CID 29200021
5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide
CID 29220669
5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777250
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 29213459
1-[(2-chlorophenyl)methyl]-N-(2-ethylphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 8839325
5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide
CID 29353447

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-3-methylpyrazole-4-carbohydrazide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-3-methylpyrazole-4-carbohydrazide (CID 31714742) is 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-3-methylpyrazole-4-carbohydrazide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-3-methylpyrazole-4-carbohydrazide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-3-methylpyrazole-4-carbohydrazide is CCc1sc(C(=O)NNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1C.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-3-methylpyrazole-4-carbohydrazide?
The InChIKey is AMQDZGKRLZABEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2S/c1-4-15-11(2)9-16(29-15)19(27)23-24-20(28)17-12(3)25-26(18(17)22)10-13-7-5-6-8-14(13)21/h5-9H,4,10H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-3-methylpyrazole-4-carbohydrazide?
5-chloro-1-[(2-chlorophenyl)methyl]-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-3-methylpyrazole-4-carbohydrazide has a molecular weight of 451.38 g/mol, XLogP of 4.55, 5 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'-(5-ethyl-4-methylthiophene-2-carbonyl)-3-methylpyrazole-4-carbohydrazide is sourced from PubChem (CID 31714742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).