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

C13H16ClFN4 — CID 105217842

IUPAC[(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
SMILESCCCn1cc(C(NN)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C13H16ClFN4/c1-2-5-19-8-9(7-17-19)13(18-16)11-4-3-10(14)6-12(11)15/h3-4,6-8,13,18H,2,5,16H2,1H3
InChIKeyBBNZMCGOCWDRPK-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.64
Rot. Bonds5

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

[(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine (PubChem CID 105217842) has the molecular formula C13H16ClFN4 and a molecular weight of 282.75 g/mol. Its IUPAC name is [(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
PubChem CID105217842
Molecular FormulaC13H16ClFN4
Molecular Weight282.75 g/mol
Exact Mass282.10
IUPAC Name[(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
SMILESCCCn1cc(C(NN)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C13H16ClFN4/c1-2-5-19-8-9(7-17-19)13(18-16)11-4-3-10(14)6-12(11)15/h3-4,6-8,13,18H,2,5,16H2,1H3
InChIKeyBBNZMCGOCWDRPK-UHFFFAOYSA-N
XLogP2.64
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.64
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-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208089
[(4-fluoro-3-methoxyphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288515
[(2,5-dimethylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288509
N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807598
[[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288469
[(3-fluoro-4-methoxyphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288596
4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline
CID 105263459
[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288605
[(4-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105194305
[(1-propylpyrazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196444
1-(3,5-dichlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808123
[(4-chloro-2-fluorophenyl)-(3,5-dichlorophenyl)methyl]hydrazine
CID 105328393

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine (CID 105217842) is [(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine is CCCn1cc(C(NN)c2ccc(Cl)cc2F)cn1.
What is the InChIKey of [(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is BBNZMCGOCWDRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN4/c1-2-5-19-8-9(7-17-19)13(18-16)11-4-3-10(14)6-12(11)15/h3-4,6-8,13,18H,2,5,16H2,1H3.
What are the key properties of [(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
[(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 282.75 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105217842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).