3-(4-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

C18H15ClN4O3 — CID 135519139

IUPAC3-(4-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)ccc1O
InChIInChI=1S/C18H15ClN4O3/c1-26-17-8-11(2-7-16(17)24)10-20-23-18(25)15-9-14(21-22-15)12-3-5-13(19)6-4-12/h2-10,24H,1H3,(H,21,22)(H,23,25)/b20-10+
InChIKeyUYXBXGJVSALMSV-KEBDBYFISA-N
MW370.80 g/mol
LogP3.21
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 135519139) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID135519139
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC Name3-(4-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)ccc1O
InChIInChI=1S/C18H15ClN4O3/c1-26-17-8-11(2-7-16(17)24)10-20-23-18(25)15-9-14(21-22-15)12-3-5-13(19)6-4-12/h2-10,24H,1H3,(H,21,22)(H,23,25)/b20-10+
InChIKeyUYXBXGJVSALMSV-KEBDBYFISA-N
XLogP3.21
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5342941
(E)-3-cyclopropyl-N'-(3,4-dimethoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 6867422
3-cyclopropyl-N'-[(1E)-(3-ethoxy-4-hydroxyphenyl)methylene]-1H-pyrazole-5-carbohydrazide
CID 135439776
(E)-3-(4-chlorophenyl)-N'-(3,4-dimethoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 6866068
N'-(3-Ethoxy-4-HO-benzylidene)-3-(3-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 135405834
N'-(2-HO-3-Methoxybenzylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 135423289
5-(4-Meo-PH)-2H-pyrazole-3-carboxylic acid (3,4,5-tri-meo-benzylidene)-hydrazide
CID 5726113
3-(1-adamantyl)-N'-[(1E)-(3,4-dimethoxyphenyl)methylene]-1H-pyrazole-5-carbohydrazide
CID 16428680
N'-[(1E)-(4-hydroxy-3-methoxyphenyl)methylene]-3',5'-dimethyl-1'-phenyl-1H,1'H-3,4'-bipyrazole-5-carbohydrazide
CID 135460575
3-(1-adamantyl)-N'-(4-hydroxy-3-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135501774
3-(1,3-benzodioxol-5-yl)-N'-[(E)-(4-hydroxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide
CID 135521446
(E)-3-(benzo[d][1,3]dioxol-5-yl)-N'-(4-hydroxy-3-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135521453

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 135519139) is 3-(4-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is COc1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)ccc1O.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is UYXBXGJVSALMSV-KEBDBYFISA-N. The full InChI is InChI=1S/C18H15ClN4O3/c1-26-17-8-11(2-7-16(17)24)10-20-23-18(25)15-9-14(21-22-15)12-3-5-13(19)6-4-12/h2-10,24H,1H3,(H,21,22)(H,23,25)/b20-10+.
What are the key properties of 3-(4-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 370.80 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135519139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).