N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

C12H11ClN4O2 — CID 135411497

IUPACN-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2cc(Cl)ccc2O)n[nH]1
InChIInChI=1S/C12H11ClN4O2/c1-7-4-10(16-15-7)12(19)17-14-6-8-5-9(13)2-3-11(8)18/h2-6,18H,1H3,(H,15,16)(H,17,19)/b14-6-
InChIKeyQGPIKZNYMFIVGT-NSIKDUERSA-N
MW278.70 g/mol
LogP1.84
Rot. Bonds3

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

N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 135411497) 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]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID135411497
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC NameN-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2cc(Cl)ccc2O)n[nH]1
InChIInChI=1S/C12H11ClN4O2/c1-7-4-10(16-15-7)12(19)17-14-6-8-5-9(13)2-3-11(8)18/h2-6,18H,1H3,(H,15,16)(H,17,19)/b14-6-
InChIKeyQGPIKZNYMFIVGT-NSIKDUERSA-N
XLogP1.84
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

5-(5-chloro-2-hydroxyphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1858336
N-[4-(acetylamino)phenyl]-5-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 1970330
5-(5-chloro-2-hydroxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxamide
CID 1832400
3-tert-butyl-N'-(2,4-dihydroxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135411687
N'-(5-tert-butyl-2-hydroxybenzylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135473308
N'-((1E)-{2-hydroxy-5-[(E)-phenyldiazenyl]phenyl}methylene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135497974
N'-[(Z)-(3,5-DI-Tert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135693595
(E)-3-cyclopropyl-N'-(4-hydroxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135457660
N'-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135473306
N'-(4-Hydroxybenzylidene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 135659464
N'-(2-hydroxybenzylidene)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 135446731
N'-(2-hydroxy-4-methylbenzylidene)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 135411493

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 135411497) is N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C\c2cc(Cl)ccc2O)n[nH]1.
What is the InChIKey of N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is QGPIKZNYMFIVGT-NSIKDUERSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-7-4-10(16-15-7)12(19)17-14-6-8-5-9(13)2-3-11(8)18/h2-6,18H,1H3,(H,15,16)(H,17,19)/b14-6-.
What are the key properties of N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135411497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).