[1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine

C14H17BrF2N4 — CID 105336611

IUPAC[1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine
SMILESCCCn1ncc(Br)c1C(Cc1cccc(F)c1F)NN
InChIInChI=1S/C14H17BrF2N4/c1-2-6-21-14(10(15)8-19-21)12(20-18)7-9-4-3-5-11(16)13(9)17/h3-5,8,12,20H,2,6-7,18H2,1H3
InChIKeyQLXDYWGXCPIKNW-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.08
Rot. Bonds6

About [1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine

[1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine (PubChem CID 105336611) has the molecular formula C14H17BrF2N4 and a molecular weight of 359.22 g/mol. Its IUPAC name is [1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine
PubChem CID105336611
Molecular FormulaC14H17BrF2N4
Molecular Weight359.22 g/mol
Exact Mass358.06
IUPAC Name[1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine
SMILESCCCn1ncc(Br)c1C(Cc1cccc(F)c1F)NN
InChIInChI=1S/C14H17BrF2N4/c1-2-6-21-14(10(15)8-19-21)12(20-18)7-9-4-3-5-11(16)13(9)17/h3-5,8,12,20H,2,6-7,18H2,1H3
InChIKeyQLXDYWGXCPIKNW-UHFFFAOYSA-N
XLogP3.08
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.08
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

[1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105205100
1-(4-chloro-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 105042448
[1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211988
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115835068
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine
CID 105209581
[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine
CID 105223487
[1-(4-bromo-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropyl]hydrazine
CID 105336676
[1-(4-bromo-1-propylpyrazol-5-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105336566
(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114885652
[2-(2,3-difluorophenyl)-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264766
[1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanylethyl]hydrazine
CID 105226609
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methylpropyl]hydrazine
CID 105199703

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine?
The IUPAC name of [1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine (CID 105336611) is [1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine is CCCn1ncc(Br)c1C(Cc1cccc(F)c1F)NN.
What is the InChIKey of [1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine?
The InChIKey is QLXDYWGXCPIKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF2N4/c1-2-6-21-14(10(15)8-19-21)12(20-18)7-9-4-3-5-11(16)13(9)17/h3-5,8,12,20H,2,6-7,18H2,1H3.
What are the key properties of [1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine?
[1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine has a molecular weight of 359.22 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105336611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).