(E)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethylidenehydrazine

C6H7F3N4 — CID 177484497

IUPAC(E)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethylidenehydrazine
SMILESC/C(=N\N)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C6H7F3N4/c1-3(11-10)4-2-5(13-12-4)6(7,8)9/h2H,10H2,1H3,(H,12,13)/b11-3+
InChIKeyKBKPHCKVTBANME-QDEBKDIKSA-N
MW192.14 g/mol
LogP1.11
Rot. Bonds1

About (E)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethylidenehydrazine

(E)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethylidenehydrazine (PubChem CID 177484497) has the molecular formula C6H7F3N4 and a molecular weight of 192.14 g/mol. Its IUPAC name is (E)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethylidenehydrazine.

Molecular Properties

Compound Name(E)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethylidenehydrazine
PubChem CID177484497
Molecular FormulaC6H7F3N4
Molecular Weight192.14 g/mol
Exact Mass192.06
IUPAC Name(E)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethylidenehydrazine
SMILESC/C(=N\N)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C6H7F3N4/c1-3(11-10)4-2-5(13-12-4)6(7,8)9/h2H,10H2,1H3,(H,12,13)/b11-3+
InChIKeyKBKPHCKVTBANME-QDEBKDIKSA-N
XLogP1.11
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-Dimethylpyrazole
CID 6210
1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-
CID 139077
5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole
CID 600756
3,5-Bis(trifluoromethyl)pyrazole
CID 518991
3-(Heptafluoropropyl)-1H-pyrazole
CID 10376804
3,5-bis(difluoromethyl)-1H-pyrazole
CID 7019433
5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole
CID 7147403
3,5-diethyl-1H-pyrazole
CID 4306367
5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
CID 7147438
(3-ethyl-1H-pyrazol-5-yl)methanamine
CID 23006039
3-(Heptafluoropropyl)-5-methyl-1H-pyrazole
CID 2774945
3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole
CID 2776179

Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethylidenehydrazine?
The IUPAC name of (E)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethylidenehydrazine (CID 177484497) is (E)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethylidenehydrazine.
What is the SMILES notation for (E)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethylidenehydrazine?
The canonical SMILES for (E)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethylidenehydrazine is C/C(=N\N)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of (E)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethylidenehydrazine?
The InChIKey is KBKPHCKVTBANME-QDEBKDIKSA-N. The full InChI is InChI=1S/C6H7F3N4/c1-3(11-10)4-2-5(13-12-4)6(7,8)9/h2H,10H2,1H3,(H,12,13)/b11-3+.
What are the key properties of (E)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethylidenehydrazine?
(E)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethylidenehydrazine has a molecular weight of 192.14 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethylidenehydrazine is sourced from PubChem (CID 177484497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).