4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide

C12H13ClN4O2 — CID 55214069

IUPAC4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCCn2cc(Cl)cn2)cc1
InChIInChI=1S/C12H13ClN4O2/c13-10-7-15-17(8-10)5-6-19-11-3-1-9(2-4-11)12(18)16-14/h1-4,7-8H,5-6,14H2,(H,16,18)
InChIKeyWHKWLNULGIUAPZ-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.22
Rot. Bonds5

About 4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide

4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide (PubChem CID 55214069) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide
PubChem CID55214069
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCCn2cc(Cl)cn2)cc1
InChIInChI=1S/C12H13ClN4O2/c13-10-7-15-17(8-10)5-6-19-11-3-1-9(2-4-11)12(18)16-14/h1-4,7-8H,5-6,14H2,(H,16,18)
InChIKeyWHKWLNULGIUAPZ-UHFFFAOYSA-N
XLogP1.22
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 55073469
N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19283405
4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide
CID 63581294
N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62440381
2-(4-chlorophenoxy)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283314
4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide
CID 63577103
4-chloro-1-[2-(3-chlorophenoxy)ethyl]pyrazole
CID 52731677
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide
CID 18526260
4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
CID 63576077
4-[2-(5-bromo-6-oxopyrimidin-1-yl)ethoxy]benzohydrazide
CID 66310652
ethyl 1-[2-(4-aminophenoxy)ethyl]pyrazole-4-carboxylate
CID 81498880

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide?
The IUPAC name of 4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide (CID 55214069) is 4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide.
What is the SMILES notation for 4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide?
The canonical SMILES for 4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide is NNC(=O)c1ccc(OCCn2cc(Cl)cn2)cc1.
What is the InChIKey of 4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide?
The InChIKey is WHKWLNULGIUAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c13-10-7-15-17(8-10)5-6-19-11-3-1-9(2-4-11)12(18)16-14/h1-4,7-8H,5-6,14H2,(H,16,18).
What are the key properties of 4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide?
4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide has a molecular weight of 280.72 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide is sourced from PubChem (CID 55214069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).