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

C8H7F3N6 — CID 80902981

IUPAC[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
SMILESNNc1nccc(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C8H7F3N6/c9-8(10,11)5-3-14-17(4-5)6-1-2-13-7(15-6)16-12/h1-4H,12H2,(H,13,15,16)
InChIKeyKLZXFDVYTXZDHI-UHFFFAOYSA-N
MW244.18 g/mol
LogP0.97
Rot. Bonds2

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

[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine (PubChem CID 80902981) has the molecular formula C8H7F3N6 and a molecular weight of 244.18 g/mol. Its IUPAC name is [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
PubChem CID80902981
Molecular FormulaC8H7F3N6
Molecular Weight244.18 g/mol
Exact Mass244.07
IUPAC Name[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
SMILESNNc1nccc(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C8H7F3N6/c9-8(10,11)5-3-14-17(4-5)6-1-2-13-7(15-6)16-12/h1-4H,12H2,(H,13,15,16)
InChIKeyKLZXFDVYTXZDHI-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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Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine (CID 80902981) is [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine is NNc1nccc(-n2cc(C(F)(F)F)cn2)n1.
What is the InChIKey of [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine?
The InChIKey is KLZXFDVYTXZDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N6/c9-8(10,11)5-3-14-17(4-5)6-1-2-13-7(15-6)16-12/h1-4H,12H2,(H,13,15,16).
What are the key properties of [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine?
[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-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 [4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80902981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).