[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine

C14H18ClFN4O — CID 105252566

IUPAC[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
SMILESCOc1cccc(F)c1C(Cc1c(Cl)c(C)nn1C)NN
InChIInChI=1S/C14H18ClFN4O/c1-8-14(15)11(20(2)19-8)7-10(18-17)13-9(16)5-4-6-12(13)21-3/h4-6,10,18H,7,17H2,1-3H3
InChIKeyZOFWTXDLJKLXSX-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.28
Rot. Bonds5

About [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine

[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine (PubChem CID 105252566) has the molecular formula C14H18ClFN4O and a molecular weight of 312.78 g/mol. Its IUPAC name is [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
PubChem CID105252566
Molecular FormulaC14H18ClFN4O
Molecular Weight312.78 g/mol
Exact Mass312.12
IUPAC Name[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
SMILESCOc1cccc(F)c1C(Cc1c(Cl)c(C)nn1C)NN
InChIInChI=1S/C14H18ClFN4O/c1-8-14(15)11(20(2)19-8)7-10(18-17)13-9(16)5-4-6-12(13)21-3/h4-6,10,18H,7,17H2,1-3H3
InChIKeyZOFWTXDLJKLXSX-UHFFFAOYSA-N
XLogP2.28
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.28
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

[2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252504
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,6-difluorophenyl)ethyl]hydrazine
CID 105246689
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105316064
[2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252351
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208217
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethyl]hydrazine
CID 105201657
[2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 107895230
[1-(2-fluoro-6-methoxyphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105252516
[2-(3,4-dimethylphenyl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252484
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chloro-2-methylphenyl)ethyl]hydrazine
CID 105316072
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 104996528
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105316011

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine?
The IUPAC name of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine (CID 105252566) is [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine is COc1cccc(F)c1C(Cc1c(Cl)c(C)nn1C)NN.
What is the InChIKey of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine?
The InChIKey is ZOFWTXDLJKLXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN4O/c1-8-14(15)11(20(2)19-8)7-10(18-17)13-9(16)5-4-6-12(13)21-3/h4-6,10,18H,7,17H2,1-3H3.
What are the key properties of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine?
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine has a molecular weight of 312.78 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105252566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).