[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine

C13H15BrClFN4 — CID 105223487

IUPAC[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)c1cccc(Cl)c1F
InChIInChI=1S/C13H15BrClFN4/c1-2-6-20-13(9(14)7-18-20)12(19-17)8-4-3-5-10(15)11(8)16/h3-5,7,12,19H,2,6,17H2,1H3
InChIKeyBMONORRXPXCGGT-UHFFFAOYSA-N
MW361.65 g/mol
LogP3.40
Rot. Bonds5

About [(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine

[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine (PubChem CID 105223487) has the molecular formula C13H15BrClFN4 and a molecular weight of 361.65 g/mol. Its IUPAC name is [(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine
PubChem CID105223487
Molecular FormulaC13H15BrClFN4
Molecular Weight361.65 g/mol
Exact Mass360.02
IUPAC Name[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)c1cccc(Cl)c1F
InChIInChI=1S/C13H15BrClFN4/c1-2-6-20-13(9(14)7-18-20)12(19-17)8-4-3-5-10(15)11(8)16/h3-5,7,12,19H,2,6,17H2,1H3
InChIKeyBMONORRXPXCGGT-UHFFFAOYSA-N
XLogP3.40
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.65
LogP ≤ 53.40
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-ethylpyrazol-5-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114653033
[(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine
CID 106694739
[(4-chloro-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 105337147
[(4-bromo-1-propylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105336612
1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-methylmethanamine
CID 105041511
[(3-chloro-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 107103824
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol
CID 114634680
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methyl]hydrazine
CID 105337323
[(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 105336644
[(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105339857
[(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 105201663
[(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine
CID 114019567

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine (CID 105223487) is [(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine is CCCn1ncc(Br)c1C(NN)c1cccc(Cl)c1F.
What is the InChIKey of [(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine?
The InChIKey is BMONORRXPXCGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClFN4/c1-2-6-20-13(9(14)7-18-20)12(19-17)8-4-3-5-10(15)11(8)16/h3-5,7,12,19H,2,6,17H2,1H3.
What are the key properties of [(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine?
[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine has a molecular weight of 361.65 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105223487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).