4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide

C14H17ClN4O2 — CID 63577103

IUPAC4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide
SMILESCc1nn(CCOc2ccc(C(=O)NN)cc2)c(C)c1Cl
InChIInChI=1S/C14H17ClN4O2/c1-9-13(15)10(2)19(18-9)7-8-21-12-5-3-11(4-6-12)14(20)17-16/h3-6H,7-8,16H2,1-2H3,(H,17,20)
InChIKeyXSCLSUZHMKBVIW-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.84
Rot. Bonds5

About 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide

4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide (PubChem CID 63577103) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide
PubChem CID63577103
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide
SMILESCc1nn(CCOc2ccc(C(=O)NN)cc2)c(C)c1Cl
InChIInChI=1S/C14H17ClN4O2/c1-9-13(15)10(2)19(18-9)7-8-21-12-5-3-11(4-6-12)14(20)17-16/h3-6H,7-8,16H2,1-2H3,(H,17,20)
InChIKeyXSCLSUZHMKBVIW-UHFFFAOYSA-N
XLogP1.84
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.84
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'}

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Related Compounds

4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide
CID 62129186
1-[2-(4-bromophenoxy)ethyl]-4-chloro-3,5-dimethylpyrazole
CID 62129029
4-[2-(4-chloropyrazol-1-yl)ethoxy]benzohydrazide
CID 55214069
3-bromo-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzohydrazide
CID 102774824
4-(2-ethylsulfanylethoxy)benzohydrazide
CID 63582672
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 19295521
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 62129687
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methoxy]benzaldehyde
CID 19618621
4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide
CID 55214651
4-pentoxybenzohydrazide
CID 2727702
4-[2-(3-cyano-1,2,4-triazol-1-yl)ethoxy]benzohydrazide
CID 63581294

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide?
The IUPAC name of 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide (CID 63577103) is 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide.
What is the SMILES notation for 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide?
The canonical SMILES for 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide is Cc1nn(CCOc2ccc(C(=O)NN)cc2)c(C)c1Cl.
What is the InChIKey of 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide?
The InChIKey is XSCLSUZHMKBVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-9-13(15)10(2)19(18-9)7-8-21-12-5-3-11(4-6-12)14(20)17-16/h3-6H,7-8,16H2,1-2H3,(H,17,20).
What are the key properties of 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide?
4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide has a molecular weight of 308.77 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide is sourced from PubChem (CID 63577103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).