1H-pyrazole;trifluoromethylhydrazine

C4H7F3N4 — CID 158733169

IUPAC1H-pyrazole;trifluoromethylhydrazine
SMILESNNC(F)(F)F.c1cn[nH]c1
InChIInChI=1S/C3H4N2.CH3F3N2/c1-2-4-5-3-1;2-1(3,4)6-5/h1-3H,(H,4,5);6H,5H2
InChIKeyILISEYIXPPLUAR-UHFFFAOYSA-N
MW168.12 g/mol
LogP0.38
Rot. Bonds

About 1H-pyrazole;trifluoromethylhydrazine

1H-pyrazole;trifluoromethylhydrazine (PubChem CID 158733169) has the molecular formula C4H7F3N4 and a molecular weight of 168.12 g/mol. Its IUPAC name is 1H-pyrazole;trifluoromethylhydrazine.

Molecular Properties

Compound Name1H-pyrazole;trifluoromethylhydrazine
PubChem CID158733169
Molecular FormulaC4H7F3N4
Molecular Weight168.12 g/mol
Exact Mass168.06
IUPAC Name1H-pyrazole;trifluoromethylhydrazine
SMILESNNC(F)(F)F.c1cn[nH]c1
InChIInChI=1S/C3H4N2.CH3F3N2/c1-2-4-5-3-1;2-1(3,4)6-5/h1-3H,(H,4,5);6H,5H2
InChIKeyILISEYIXPPLUAR-UHFFFAOYSA-N
XLogP0.38
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pyrazole
CID 1048
3-fluoro-1H-pyrazole
CID 15055508
1H-Pyrazole, hydrochloride (1:1)
CID 190350
Pyrazolium
CID 3416953
Potassium trifluoro(1H-pyrazol-5-yl)borate(1-)
CID 25212877
Pyrazole-d4
CID 71309634
Pyrazole triflate
CID 87721714
Pyrazolium chloride
CID 67909939
1H-pyrazol-2-ium;2,2,2-trifluoroacetate
CID 158811754
CID 171924695
CID 171924695
1-Deuteriopyrazole
CID 12262518
4-Deuteropyrazole
CID 13971148

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole;trifluoromethylhydrazine?
The IUPAC name of 1H-pyrazole;trifluoromethylhydrazine (CID 158733169) is 1H-pyrazole;trifluoromethylhydrazine.
What is the SMILES notation for 1H-pyrazole;trifluoromethylhydrazine?
The canonical SMILES for 1H-pyrazole;trifluoromethylhydrazine is NNC(F)(F)F.c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole;trifluoromethylhydrazine?
The InChIKey is ILISEYIXPPLUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.CH3F3N2/c1-2-4-5-3-1;2-1(3,4)6-5/h1-3H,(H,4,5);6H,5H2.
What are the key properties of 1H-pyrazole;trifluoromethylhydrazine?
1H-pyrazole;trifluoromethylhydrazine has a molecular weight of 168.12 g/mol, XLogP of 0.38, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole;trifluoromethylhydrazine is sourced from PubChem (CID 158733169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).