[(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine

C14H17F3N4 — CID 105288436

IUPAC[(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCCCn1cc(C(NN)c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C14H17F3N4/c1-2-7-21-9-11(8-19-21)13(20-18)10-3-5-12(6-4-10)14(15,16)17/h3-6,8-9,13,20H,2,7,18H2,1H3
InChIKeyBSHRIZBHGSSEFG-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.86
Rot. Bonds5

About [(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine

[(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 105288436) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is [(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID105288436
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name[(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCCCn1cc(C(NN)c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C14H17F3N4/c1-2-7-21-9-11(8-19-21)13(20-18)10-3-5-12(6-4-10)14(15,16)17/h3-6,8-9,13,20H,2,7,18H2,1H3
InChIKeyBSHRIZBHGSSEFG-UHFFFAOYSA-N
XLogP2.86
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.86
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

[(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]methanamine
CID 115807748
[[4-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288522
[(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208089
[(4-fluoro-3-methoxyphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288515
[(3-fluoro-4-methoxyphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288596
[2,3-dihydro-1H-inden-5-yl-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288546
[(1-propylimidazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105307552
[(1-ethylpyrazol-4-yl)-(4-methylphenyl)methyl]hydrazine
CID 105194304
[(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105222098
[(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288475

Frequently Asked Questions

What is the IUPAC name of [(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine (CID 105288436) is [(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine is CCCn1cc(C(NN)c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of [(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is BSHRIZBHGSSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-2-7-21-9-11(8-19-21)13(20-18)10-3-5-12(6-4-10)14(15,16)17/h3-6,8-9,13,20H,2,7,18H2,1H3.
What are the key properties of [(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine?
[(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 298.31 g/mol, XLogP of 2.86, 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)-[4-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 105288436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).