4-(4-chloro-3-methylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]butanehydrazide

C18H23ClN4O3 — CID 24818247

IUPAC4-(4-chloro-3-methylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]butanehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CCCOc2ccc(Cl)c(C)c2)n1
InChIInChI=1S/C18H23ClN4O3/c1-12-9-15(6-7-16(12)19)26-8-4-5-17(24)20-21-18(25)11-23-14(3)10-13(2)22-23/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyOVPNSRIUJASOJG-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.47
Rot. Bonds7

About 4-(4-chloro-3-methylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]butanehydrazide

4-(4-chloro-3-methylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]butanehydrazide (PubChem CID 24818247) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]butanehydrazide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]butanehydrazide
PubChem CID24818247
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC Name4-(4-chloro-3-methylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]butanehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CCCOc2ccc(Cl)c(C)c2)n1
InChIInChI=1S/C18H23ClN4O3/c1-12-9-15(6-7-16(12)19)26-8-4-5-17(24)20-21-18(25)11-23-14(3)10-13(2)22-23/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyOVPNSRIUJASOJG-UHFFFAOYSA-N
XLogP2.47
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]butanehydrazide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]butanehydrazide (CID 24818247) is 4-(4-chloro-3-methylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]butanehydrazide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]butanehydrazide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]butanehydrazide is Cc1cc(C)n(CC(=O)NNC(=O)CCCOc2ccc(Cl)c(C)c2)n1.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]butanehydrazide?
The InChIKey is OVPNSRIUJASOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c1-12-9-15(6-7-16(12)19)26-8-4-5-17(24)20-21-18(25)11-23-14(3)10-13(2)22-23/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]butanehydrazide?
4-(4-chloro-3-methylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]butanehydrazide has a molecular weight of 378.86 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]butanehydrazide is sourced from PubChem (CID 24818247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).