N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide

C17H12Cl2N4O2 — CID 55624453

IUPACN'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cl)c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C17H12Cl2N4O2/c18-11-5-3-4-10(8-11)14-9-15(21-20-14)17(25)23-22-16(24)12-6-1-2-7-13(12)19/h1-9H,(H,20,21)(H,22,24)(H,23,25)
InChIKeyHNDIHJNKGGAHDF-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.46
Rot. Bonds3

About N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide

N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide (PubChem CID 55624453) has the molecular formula C17H12Cl2N4O2 and a molecular weight of 375.22 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide
PubChem CID55624453
Molecular FormulaC17H12Cl2N4O2
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC NameN'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1Cl)c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C17H12Cl2N4O2/c18-11-5-3-4-10(8-11)14-9-15(21-20-14)17(25)23-22-16(24)12-6-1-2-7-13(12)19/h1-9H,(H,20,21)(H,22,24)(H,23,25)
InChIKeyHNDIHJNKGGAHDF-UHFFFAOYSA-N
XLogP3.46
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464
N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920191
N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27672307
azepan-1-yl-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 46920429
N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920230
N'-(2,3-dimethoxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823823
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27689068
3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 46920548
2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 46920141
N-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920544
N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513521

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide (CID 55624453) is N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide is O=C(NNC(=O)c1ccccc1Cl)c1cc(-c2cccc(Cl)c2)n[nH]1.
What is the InChIKey of N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is HNDIHJNKGGAHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O2/c18-11-5-3-4-10(8-11)14-9-15(21-20-14)17(25)23-22-16(24)12-6-1-2-7-13(12)19/h1-9H,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide?
N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 375.22 g/mol, XLogP of 3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 55624453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).