[4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

C9H9F3N6 — CID 114567659

IUPAC[4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCc1cnn(-c2cc(C(F)(F)F)nc(NN)n2)c1
InChIInChI=1S/C9H9F3N6/c1-5-3-14-18(4-5)7-2-6(9(10,11)12)15-8(16-7)17-13/h2-4H,13H2,1H3,(H,15,16,17)
InChIKeyIVLPFGDHYLUYIH-UHFFFAOYSA-N
MW258.21 g/mol
LogP1.28
Rot. Bonds2

About [4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

[4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 114567659) has the molecular formula C9H9F3N6 and a molecular weight of 258.21 g/mol. Its IUPAC name is [4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID114567659
Molecular FormulaC9H9F3N6
Molecular Weight258.21 g/mol
Exact Mass258.08
IUPAC Name[4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCc1cnn(-c2cc(C(F)(F)F)nc(NN)n2)c1
InChIInChI=1S/C9H9F3N6/c1-5-3-14-18(4-5)7-2-6(9(10,11)12)15-8(16-7)17-13/h2-4H,13H2,1H3,(H,15,16,17)
InChIKeyIVLPFGDHYLUYIH-UHFFFAOYSA-N
XLogP1.28
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 114567674
N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566111
[6-(4-methylpyrazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721177
4-(4-chloropyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566071
4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566114
[4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80901191
cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine)
CID 140695209
[4-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567450
2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 114566945
4-hydrazinyl-N,N-dimethyl-6-(4-methylpyrazol-1-yl)-1,3,5-triazin-2-amine
CID 80900827
[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567743
[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80902981

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 114567659) is [4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is Cc1cnn(-c2cc(C(F)(F)F)nc(NN)n2)c1.
What is the InChIKey of [4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is IVLPFGDHYLUYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N6/c1-5-3-14-18(4-5)7-2-6(9(10,11)12)15-8(16-7)17-13/h2-4H,13H2,1H3,(H,15,16,17).
What are the key properties of [4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 258.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114567659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).