[(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine

C13H15F3N4 — CID 105208089

IUPAC[(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
SMILESCCCn1cc(C(NN)c2cc(F)c(F)c(F)c2)cn1
InChIInChI=1S/C13H15F3N4/c1-2-3-20-7-9(6-18-20)13(19-17)8-4-10(14)12(16)11(15)5-8/h4-7,13,19H,2-3,17H2,1H3
InChIKeyJQDFCVFMCCIWSQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.26
Rot. Bonds5

About [(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine

[(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine (PubChem CID 105208089) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is [(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
PubChem CID105208089
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name[(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
SMILESCCCn1cc(C(NN)c2cc(F)c(F)c(F)c2)cn1
InChIInChI=1S/C13H15F3N4/c1-2-3-20-7-9(6-18-20)13(19-17)8-4-10(14)12(16)11(15)5-8/h4-7,13,19H,2-3,17H2,1H3
InChIKeyJQDFCVFMCCIWSQ-UHFFFAOYSA-N
XLogP2.26
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3-fluoro-4-methoxyphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288596
[(4-fluoro-3-methoxyphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288515
[(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288475
[(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105217842
[(4-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105194305
[(1-propylpyrazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196444
[(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105288436
[[4-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288522
[(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208071
1-(4-bromo-3-fluorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115807266
[2,3-dihydro-1H-inden-5-yl-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288546
[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105264613

Frequently Asked Questions

What is the IUPAC name of [(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine (CID 105208089) is [(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine is CCCn1cc(C(NN)c2cc(F)c(F)c(F)c2)cn1.
What is the InChIKey of [(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The InChIKey is JQDFCVFMCCIWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-2-3-20-7-9(6-18-20)13(19-17)8-4-10(14)12(16)11(15)5-8/h4-7,13,19H,2-3,17H2,1H3.
What are the key properties of [(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
[(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine has a molecular weight of 284.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105208089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).