[1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine

C15H21ClN4O — CID 105317037

IUPAC[1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
SMILESCCc1cc(CC(COc2cccc(Cl)c2)NN)n(C)n1
InChIInChI=1S/C15H21ClN4O/c1-3-12-8-14(20(2)19-12)9-13(18-17)10-21-15-6-4-5-11(16)7-15/h4-8,13,18H,3,9-10,17H2,1-2H3
InChIKeyPTRXIPHLEIRWNC-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.09
Rot. Bonds7

About [1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine

[1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine (PubChem CID 105317037) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is [1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
PubChem CID105317037
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name[1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
SMILESCCc1cc(CC(COc2cccc(Cl)c2)NN)n(C)n1
InChIInChI=1S/C15H21ClN4O/c1-3-12-8-14(20(2)19-12)9-13(18-17)10-21-15-6-4-5-11(16)7-15/h4-8,13,18H,3,9-10,17H2,1-2H3
InChIKeyPTRXIPHLEIRWNC-UHFFFAOYSA-N
XLogP2.09
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,6-dichlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105209868
1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine
CID 105158513
1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 105160098
[1-(3-chlorophenoxy)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105284980
2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 79443187
[1-(3-chlorophenoxy)-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105324483
[1-(3-chlorophenoxy)-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
CID 103025590
[1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105289375
2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 79443035
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105317184
[1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine
CID 105309951
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine
CID 105317110

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine (CID 105317037) is [1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine is CCc1cc(CC(COc2cccc(Cl)c2)NN)n(C)n1.
What is the InChIKey of [1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine?
The InChIKey is PTRXIPHLEIRWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-3-12-8-14(20(2)19-12)9-13(18-17)10-21-15-6-4-5-11(16)7-15/h4-8,13,18H,3,9-10,17H2,1-2H3.
What are the key properties of [1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine?
[1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine has a molecular weight of 308.81 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105317037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).