3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide

C17H14Cl2N4O3 — CID 134315879

IUPAC3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNCc1ccc(O)cc1O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C17H14Cl2N4O3/c18-10-2-4-12(13(19)5-10)14-7-15(22-21-14)17(26)23-20-8-9-1-3-11(24)6-16(9)25/h1-7,20,24-25H,8H2,(H,21,22)(H,23,26)
InChIKeyLOYOQLPXSHPPGI-UHFFFAOYSA-N
MW393.23 g/mol
LogP3.23
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide

3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide (PubChem CID 134315879) has the molecular formula C17H14Cl2N4O3 and a molecular weight of 393.23 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide
PubChem CID134315879
Molecular FormulaC17H14Cl2N4O3
Molecular Weight393.23 g/mol
Exact Mass392.04
IUPAC Name3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNCc1ccc(O)cc1O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1
InChIInChI=1S/C17H14Cl2N4O3/c18-10-2-4-12(13(19)5-10)14-7-15(22-21-14)17(26)23-20-8-9-1-3-11(24)6-16(9)25/h1-7,20,24-25H,8H2,(H,21,22)(H,23,26)
InChIKeyLOYOQLPXSHPPGI-UHFFFAOYSA-N
XLogP3.23
TPSA110.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 53.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 137017195
3-(2,4-dichlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135547185
3-(2,4-dichlorophenyl)-N-(1-methylbenzimidazol-2-yl)-1H-pyrazole-5-carboxamide
CID 19509973
N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19510030
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19287674
3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 19510028
N-(1-benzylpyrazol-4-yl)-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19397544
3-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-5-carboxamide
CID 91639398
3-(2,4-dichlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509948
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 6083366
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19345665
3-(2,4-dichlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19395675

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide (CID 134315879) is 3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide is O=C(NNCc1ccc(O)cc1O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide?
The InChIKey is LOYOQLPXSHPPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O3/c18-10-2-4-12(13(19)5-10)14-7-15(22-21-14)17(26)23-20-8-9-1-3-11(24)6-16(9)25/h1-7,20,24-25H,8H2,(H,21,22)(H,23,26).
What are the key properties of 3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide?
3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide has a molecular weight of 393.23 g/mol, XLogP of 3.23, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N'-[(2,4-dihydroxyphenyl)methyl]-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 134315879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).