[[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine

C14H17F3N4 — CID 105302308

IUPAC[[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
SMILESCc1nn(C)c(C)c1C(NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N4/c1-8-12(9(2)21(3)20-8)13(19-18)10-4-6-11(7-5-10)14(15,16)17/h4-7,13,19H,18H2,1-3H3
InChIKeyNZVKTGAZHSPHIP-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.61
Rot. Bonds3

About [[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine

[[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine (PubChem CID 105302308) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is [[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
PubChem CID105302308
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name[[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
SMILESCc1nn(C)c(C)c1C(NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N4/c1-8-12(9(2)21(3)20-8)13(19-18)10-4-6-11(7-5-10)14(15,16)17/h4-7,13,19H,18H2,1-3H3
InChIKeyNZVKTGAZHSPHIP-UHFFFAOYSA-N
XLogP2.61
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.61
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-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105300373
[phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105282920
[(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 114220219
[(3,4-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105304935
[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105286716
[pyridin-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105287039
[(5-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105318696
[(2,6-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105302320
[(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105322374
N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105083946
[(3,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105300140
[(2-methyl-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 106756526

Frequently Asked Questions

What is the IUPAC name of [[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine (CID 105302308) is [[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine is Cc1nn(C)c(C)c1C(NN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is NZVKTGAZHSPHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-8-12(9(2)21(3)20-8)13(19-18)10-4-6-11(7-5-10)14(15,16)17/h4-7,13,19H,18H2,1-3H3.
What are the key properties of [[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine?
[[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 298.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105302308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).