N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide

C12H11ClN4O2 — CID 135647500

IUPACN-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N/N=C\c2cc(Cl)ccc2O)n1
InChIInChI=1S/C12H11ClN4O2/c1-17-5-4-10(16-17)12(19)15-14-7-8-6-9(13)2-3-11(8)18/h2-7,18H,1H3,(H,15,19)/b14-7-
InChIKeyLQSHNJSJKKARSL-AUWJEWJLSA-N
MW278.70 g/mol
LogP1.54
Rot. Bonds3

About N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide

N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide (PubChem CID 135647500) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
PubChem CID135647500
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC NameN-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N/N=C\c2cc(Cl)ccc2O)n1
InChIInChI=1S/C12H11ClN4O2/c1-17-5-4-10(16-17)12(19)15-14-7-8-6-9(13)2-3-11(8)18/h2-7,18H,1H3,(H,15,19)/b14-7-
InChIKeyLQSHNJSJKKARSL-AUWJEWJLSA-N
XLogP1.54
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N'-[4-(diethylamino)-2-hydroxybenzylidene]-1-methyl-1H-pyrazole-5-carbohydrazide
CID 135401471
1-benzyl-3-(4-chlorophenyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-5-carboxamide
CID 135951786
1-[(6-chloro-3-pyridinyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide
CID 135951776
3-(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrazole-5-carboxamide
CID 135951778
1-[(4-tert-butylphenyl)methyl]-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-phenylpyrazole-5-carboxamide
CID 136045862
4-chloro-N'-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-methyl-1H-pyrazole-3-carbohydrazide
CID 135804473
4-{[(E)-(2-hydroxyphenyl)methylidene]amino}-1-methyl-1H-pyrazole-5-carboxamide
CID 915276
1-(4-chlorobenzyl)-N'-(2-hydroxy-5-methoxybenzylidene)-1H-pyrazole-3-carbohydrazide
CID 135411547
2-hydroxy-N-[(Z)-[1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)-4-oxobutan-2-ylidene]amino]benzamide
CID 25204259
1-[1-[(5-Chloro-2-hydroxyphenyl)methyl]pyrazol-3-yl]-2-(2,6-difluorophenyl)ethanone
CID 58083573
1-[(5-Chloro-2-hydroxyphenyl)methyl]-N-(2,6-difluorophenyl)-1H-pyrazole-3-carboxamide
CID 66725374
2-hydroxy-N-[[1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)-4-oxobutan-2-ylidene]amino]benzamide
CID 87270377

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide (CID 135647500) is N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)N/N=C\c2cc(Cl)ccc2O)n1.
What is the InChIKey of N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The InChIKey is LQSHNJSJKKARSL-AUWJEWJLSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-17-5-4-10(16-17)12(19)15-14-7-8-6-9(13)2-3-11(8)18/h2-7,18H,1H3,(H,15,19)/b14-7-.
What are the key properties of N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 135647500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).