[4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine

C9H9F3N6 — CID 80901191

IUPAC[4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
SMILESCc1cc(-n2ccc(C(F)(F)F)n2)nc(NN)n1
InChIInChI=1S/C9H9F3N6/c1-5-4-7(15-8(14-5)16-13)18-3-2-6(17-18)9(10,11)12/h2-4H,13H2,1H3,(H,14,15,16)
InChIKeyZCKXNOXVADARGA-UHFFFAOYSA-N
MW258.21 g/mol
LogP1.28
Rot. Bonds2

About [4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine

[4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine (PubChem CID 80901191) has the molecular formula C9H9F3N6 and a molecular weight of 258.21 g/mol. Its IUPAC name is [4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
PubChem CID80901191
Molecular FormulaC9H9F3N6
Molecular Weight258.21 g/mol
Exact Mass258.08
IUPAC Name[4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
SMILESCc1cc(-n2ccc(C(F)(F)F)n2)nc(NN)n1
InChIInChI=1S/C9H9F3N6/c1-5-4-7(15-8(14-5)16-13)18-3-2-6(17-18)9(10,11)12/h2-4H,13H2,1H3,(H,14,15,16)
InChIKeyZCKXNOXVADARGA-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

N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566081
4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine
CID 80901888
4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566082
[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine
CID 80900694
[4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine
CID 80902116
[4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567659
[5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80899957
(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)hydrazine
CID 80927767
4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 80951095
(4,6-dimethylpyrimidin-2-yl)hydrazine;hydrochloride
CID 134128947
2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80965712
4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 158279519

Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine (CID 80901191) is [4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine is Cc1cc(-n2ccc(C(F)(F)F)n2)nc(NN)n1.
What is the InChIKey of [4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine?
The InChIKey is ZCKXNOXVADARGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N6/c1-5-4-7(15-8(14-5)16-13)18-3-2-6(17-18)9(10,11)12/h2-4H,13H2,1H3,(H,14,15,16).
What are the key properties of [4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine?
[4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]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-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80901191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).