N-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide

C12H11ClN4O2 — CID 2818544

IUPACN-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
SMILESCn1[nH]c(=O)cc1C(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN4O2/c1-17-10(6-11(18)16-17)12(19)15-14-7-8-2-4-9(13)5-3-8/h2-7H,1H3,(H,15,19)(H,16,18)
InChIKeyNSMZIDHAXCFLEF-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.13
Rot. Bonds3

About N-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide

N-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide (PubChem CID 2818544) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
PubChem CID2818544
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
SMILESCn1[nH]c(=O)cc1C(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN4O2/c1-17-10(6-11(18)16-17)12(19)15-14-7-8-2-4-9(13)5-3-8/h2-7H,1H3,(H,15,19)(H,16,18)
InChIKeyNSMZIDHAXCFLEF-UHFFFAOYSA-N
XLogP1.13
TPSA79.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.13
H-Bond Donors ≤ 52
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)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 6899834
N-[(E)-(4-chlorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 6884298
N'-[(E)-(2-chlorophenyl)methylidene]-2-(5-hydroxy-1H-pyrazol-3-yl)acetohydrazide
CID 6885474
N-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 6871826
N'-[(1Z)-1-(4-chlorophenyl)ethylidene]-2-(5-hydroxy-1H-pyrazol-3-yl)acetohydrazide
CID 5420957
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 5715319
N-[(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2318410
N-[(E)-benzylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 9584128
2-{(2E)-2-[(4-Chlorophenyl)methylidene]hydrazinyl}-N,N,N-trimethyl-2-oxoethan-1-aminium chloride
CID 54603079
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 5667510
N-[(4-chlorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 911446
N-[(2-chlorophenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 931254

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide (CID 2818544) is N-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide is Cn1[nH]c(=O)cc1C(=O)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide?
The InChIKey is NSMZIDHAXCFLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-17-10(6-11(18)16-17)12(19)15-14-7-8-2-4-9(13)5-3-8/h2-7H,1H3,(H,15,19)(H,16,18).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide?
N-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 2818544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).