[1-(1-ethylpyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine

C9H12F6N4 — CID 103312739

IUPAC[1-(1-ethylpyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
SMILESCCn1cc(C(NN)C(C(F)(F)F)C(F)(F)F)cn1
InChIInChI=1S/C9H12F6N4/c1-2-19-4-5(3-17-19)6(18-16)7(8(10,11)12)9(13,14)15/h3-4,6-7,18H,2,16H2,1H3
InChIKeyPUKIQOKMXXHMOQ-UHFFFAOYSA-N
MW290.21 g/mol
LogP2.15
Rot. Bonds4

About [1-(1-ethylpyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine

[1-(1-ethylpyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine (PubChem CID 103312739) has the molecular formula C9H12F6N4 and a molecular weight of 290.21 g/mol. Its IUPAC name is [1-(1-ethylpyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(1-ethylpyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
PubChem CID103312739
Molecular FormulaC9H12F6N4
Molecular Weight290.21 g/mol
Exact Mass290.10
IUPAC Name[1-(1-ethylpyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
SMILESCCn1cc(C(NN)C(C(F)(F)F)C(F)(F)F)cn1
InChIInChI=1S/C9H12F6N4/c1-2-19-4-5(3-17-19)6(18-16)7(8(10,11)12)9(13,14)15/h3-4,6-7,18H,2,16H2,1H3
InChIKeyPUKIQOKMXXHMOQ-UHFFFAOYSA-N
XLogP2.15
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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CID 25248267
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alpha,1-Dimethyl-1H-pyrazole-4-ethanamine
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3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 47003365
4-(1-methyl-1H-pyrazol-4-yl)butan-1-amine
CID 50988989
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
2-methyl-3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62505178
1-(1-ethyl-1H-pyrazol-4-yl)propan-1-amine
CID 23005819
1-[1-(3,3,3-Trifluoropropyl)pyrazol-4-yl]ethanamine
CID 64566976
3-Fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine
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CID 118301775

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylpyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
The IUPAC name of [1-(1-ethylpyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine (CID 103312739) is [1-(1-ethylpyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine.
What is the SMILES notation for [1-(1-ethylpyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
The canonical SMILES for [1-(1-ethylpyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine is CCn1cc(C(NN)C(C(F)(F)F)C(F)(F)F)cn1.
What is the InChIKey of [1-(1-ethylpyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
The InChIKey is PUKIQOKMXXHMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6N4/c1-2-19-4-5(3-17-19)6(18-16)7(8(10,11)12)9(13,14)15/h3-4,6-7,18H,2,16H2,1H3.
What are the key properties of [1-(1-ethylpyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
[1-(1-ethylpyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine has a molecular weight of 290.21 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylpyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine is sourced from PubChem (CID 103312739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).