4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide

C14H14Cl2N4O — CID 724099

IUPAC4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NN=Cc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C14H14Cl2N4O/c1-3-11-12(16)13(20(2)19-11)14(21)18-17-8-9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3,(H,18,21)
InChIKeySUVUWNFJUPQELR-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.05
Rot. Bonds4

About 4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide

4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 724099) has the molecular formula C14H14Cl2N4O and a molecular weight of 325.20 g/mol. Its IUPAC name is 4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID724099
Molecular FormulaC14H14Cl2N4O
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC Name4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NN=Cc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C14H14Cl2N4O/c1-3-11-12(16)13(20(2)19-11)14(21)18-17-8-9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3,(H,18,21)
InChIKeySUVUWNFJUPQELR-UHFFFAOYSA-N
XLogP3.05
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.05
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-[(4-bromophenyl)methylideneamino]-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 1003079
4-chloro-1,3-dimethyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrazole-5-carboxamide
CID 5410829
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
4-bromo-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide
CID 71833321
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
1,3-dimethyl-4-nitro-N-[(E)-(4-nitrophenyl)methylideneamino]pyrazole-5-carboxamide
CID 6873486
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
N-[(4-chlorophenyl)methylideneamino]hexanamide
CID 4197078
1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea
CID 110538497
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 724099) is 4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NN=Cc2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is SUVUWNFJUPQELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O/c1-3-11-12(16)13(20(2)19-11)14(21)18-17-8-9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3,(H,18,21).
What are the key properties of 4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide?
4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-chlorophenyl)methylideneamino]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 724099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).