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

C8H7F3N6 — CID 80900694

IUPAC[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine
SMILESNNc1cc(-n2ccc(C(F)(F)F)n2)ncn1
InChIInChI=1S/C8H7F3N6/c9-8(10,11)5-1-2-17(16-5)7-3-6(15-12)13-4-14-7/h1-4H,12H2,(H,13,14,15)
InChIKeyWGUFOXFOWLXWEU-UHFFFAOYSA-N
MW244.18 g/mol
LogP0.97
Rot. Bonds2

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

[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine (PubChem CID 80900694) has the molecular formula C8H7F3N6 and a molecular weight of 244.18 g/mol. Its IUPAC name is [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine
PubChem CID80900694
Molecular FormulaC8H7F3N6
Molecular Weight244.18 g/mol
Exact Mass244.07
IUPAC Name[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine
SMILESNNc1cc(-n2ccc(C(F)(F)F)n2)ncn1
InChIInChI=1S/C8H7F3N6/c9-8(10,11)5-1-2-17(16-5)7-3-6(15-12)13-4-14-7/h1-4H,12H2,(H,13,14,15)
InChIKeyWGUFOXFOWLXWEU-UHFFFAOYSA-N
XLogP0.97
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 50.97
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

[4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80901191
4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566082
5-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxamide
CID 114090520
5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 177229961
N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566081
[5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80899957
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859
2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80938482
1-(4-bromo-2,6-difluorophenyl)-3-(trifluoromethyl)pyrazole
CID 86707216
2-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80840288
[4-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine
CID 62287576
3-(trifluoromethyl)-1-(3,4,5-trifluorophenyl)pyrazole
CID 79194874

Frequently Asked Questions

What is the IUPAC name of [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine (CID 80900694) is [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine is NNc1cc(-n2ccc(C(F)(F)F)n2)ncn1.
What is the InChIKey of [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine?
The InChIKey is WGUFOXFOWLXWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N6/c9-8(10,11)5-1-2-17(16-5)7-3-6(15-12)13-4-14-7/h1-4H,12H2,(H,13,14,15).
What are the key properties of [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine?
[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine has a molecular weight of 244.18 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80900694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).