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

C14H18ClFN4 — CID 105201657

IUPAC[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethyl]hydrazine
SMILESCc1ccc(C(Cc2c(Cl)c(C)nn2C)NN)cc1F
InChIInChI=1S/C14H18ClFN4/c1-8-4-5-10(6-11(8)16)12(18-17)7-13-14(15)9(2)19-20(13)3/h4-6,12,18H,7,17H2,1-3H3
InChIKeyRLVWZLAUONCZOL-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.58
Rot. Bonds4

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

[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethyl]hydrazine (PubChem CID 105201657) has the molecular formula C14H18ClFN4 and a molecular weight of 296.78 g/mol. Its IUPAC name is [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethyl]hydrazine
PubChem CID105201657
Molecular FormulaC14H18ClFN4
Molecular Weight296.78 g/mol
Exact Mass296.12
IUPAC Name[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethyl]hydrazine
SMILESCc1ccc(C(Cc2c(Cl)c(C)nn2C)NN)cc1F
InChIInChI=1S/C14H18ClFN4/c1-8-4-5-10(6-11(8)16)12(18-17)7-13-14(15)9(2)19-20(13)3/h4-6,12,18H,7,17H2,1-3H3
InChIKeyRLVWZLAUONCZOL-UHFFFAOYSA-N
XLogP2.58
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-methylphenyl)ethyl]hydrazine
CID 105315986
[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-(5-chloro-2-methylphenyl)ethyl]hydrazine
CID 105316072
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105315999
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105316041
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105316011
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252566
1-(4-bromo-3-fluorophenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanamine
CID 104996860
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chloro-2-fluorophenyl)ethanol
CID 114852945
[1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine
CID 105316016
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(4-fluorophenyl)propan-1-amine
CID 79442250
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105217846

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethyl]hydrazine (CID 105201657) is [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethyl]hydrazine is Cc1ccc(C(Cc2c(Cl)c(C)nn2C)NN)cc1F.
What is the InChIKey of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethyl]hydrazine?
The InChIKey is RLVWZLAUONCZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN4/c1-8-4-5-10(6-11(8)16)12(18-17)7-13-14(15)9(2)19-20(13)3/h4-6,12,18H,7,17H2,1-3H3.
What are the key properties of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethyl]hydrazine?
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethyl]hydrazine has a molecular weight of 296.78 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105201657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).