N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide

C19H16Cl2N4O — CID 7334401

IUPACN-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N4O/c1-13-17(19(21)25(24-13)16-5-3-2-4-6-16)12-22-23-18(26)11-14-7-9-15(20)10-8-14/h2-10,12H,11H2,1H3,(H,23,26)/b22-12-
InChIKeyCCHHQUGPGGBCQA-UUYOSTAYSA-N
MW387.27 g/mol
LogP4.18
Rot. Bonds5

About N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide

N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide (PubChem CID 7334401) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide
PubChem CID7334401
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC NameN-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N4O/c1-13-17(19(21)25(24-13)16-5-3-2-4-6-16)12-22-23-18(26)11-14-7-9-15(20)10-8-14/h2-10,12H,11H2,1H3,(H,23,26)/b22-12-
InChIKeyCCHHQUGPGGBCQA-UUYOSTAYSA-N
XLogP4.18
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-phenylacetamide
CID 6893285
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5438565
N-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide
CID 4040988
2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 1079704
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5435233
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide
CID 6907935
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6070242
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 5445787
2-(2-bromophenoxy)-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 56663382
N-[2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 5023705
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 5443754
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 1128810

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide (CID 7334401) is N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide is Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide?
The InChIKey is CCHHQUGPGGBCQA-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-13-17(19(21)25(24-13)16-5-3-2-4-6-16)12-22-23-18(26)11-14-7-9-15(20)10-8-14/h2-10,12H,11H2,1H3,(H,23,26)/b22-12-.
What are the key properties of N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide?
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide has a molecular weight of 387.27 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 7334401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).