[5-nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine

C8H6F3N7O2 — CID 80901887

IUPAC[5-nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine
SMILESNNc1ncnc(-n2ccc(C(F)(F)F)n2)c1[N+](=O)[O-]
InChIInChI=1S/C8H6F3N7O2/c9-8(10,11)4-1-2-17(16-4)7-5(18(19)20)6(15-12)13-3-14-7/h1-3H,12H2,(H,13,14,15)
InChIKeyFQBQFRPDKBYFOC-UHFFFAOYSA-N
MW289.18 g/mol
LogP0.87
Rot. Bonds3

About [5-nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine

[5-nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine (PubChem CID 80901887) has the molecular formula C8H6F3N7O2 and a molecular weight of 289.18 g/mol. Its IUPAC name is [5-nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine
PubChem CID80901887
Molecular FormulaC8H6F3N7O2
Molecular Weight289.18 g/mol
Exact Mass289.05
IUPAC Name[5-nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine
SMILESNNc1ncnc(-n2ccc(C(F)(F)F)n2)c1[N+](=O)[O-]
InChIInChI=1S/C8H6F3N7O2/c9-8(10,11)4-1-2-17(16-4)7-5(18(19)20)6(15-12)13-3-14-7/h1-3H,12H2,(H,13,14,15)
InChIKeyFQBQFRPDKBYFOC-UHFFFAOYSA-N
XLogP0.87
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-6-nitropyrazolo[1,5-a]pyrimidine
CID 841035
1-pyrimidin-2-yl-3-trifluoromethyl-1H-pyrazol-4-ylamine
CID 59579982
4-[3-(Trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80857111
5-(Difluoromethyl)-3-nitropyrazolo[1,5-A]pyrimidine
CID 119056308
2-Chloro-5-[3-(difluoromethyl)-4-nitropyrazol-1-yl]pyrimidine
CID 146599166
1-Pyrimidin-4-yl-5-(trifluoromethyl)pyrazol-4-amine;hydrochloride
CID 169213373
1-Pyrimidin-2-yl-5-(trifluoromethyl)pyrazol-4-amine
CID 169213628
1-Methyl-4-nitro-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole
CID 178965690
N,N,6-trimethyl-2-(4-nitro-1H-pyrazol-1-yl)pyrimidin-4-amine
CID 7585717
5-Methyl-6-nitropyrazolo[1,5-a]pyrimidine
CID 154926107
1-[4-(Trifluoromethyl)pyrimidin-2-yl]-1H-pyrazol-4-amine
CID 45933729
2-[3-(Trifluoromethyl)pyrazol-1-yl]pyrimidin-5-amine
CID 61631279

Frequently Asked Questions

What is the IUPAC name of [5-nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine (CID 80901887) is [5-nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine is NNc1ncnc(-n2ccc(C(F)(F)F)n2)c1[N+](=O)[O-].
What is the InChIKey of [5-nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine?
The InChIKey is FQBQFRPDKBYFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N7O2/c9-8(10,11)4-1-2-17(16-4)7-5(18(19)20)6(15-12)13-3-14-7/h1-3H,12H2,(H,13,14,15).
What are the key properties of [5-nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine?
[5-nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine has a molecular weight of 289.18 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-nitro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80901887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).