[4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine

C9H12F6N4 — CID 103312744

IUPAC[4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine
SMILESCn1cc(CC(NN)C(C(F)(F)F)C(F)(F)F)cn1
InChIInChI=1S/C9H12F6N4/c1-19-4-5(3-17-19)2-6(18-16)7(8(10,11)12)9(13,14)15/h3-4,6-7,18H,2,16H2,1H3
InChIKeyDKXBXMGJXYUECD-UHFFFAOYSA-N
MW290.21 g/mol
LogP1.54
Rot. Bonds4

About [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine

[4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine (PubChem CID 103312744) has the molecular formula C9H12F6N4 and a molecular weight of 290.21 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine
PubChem CID103312744
Molecular FormulaC9H12F6N4
Molecular Weight290.21 g/mol
Exact Mass290.10
IUPAC Name[4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine
SMILESCn1cc(CC(NN)C(C(F)(F)F)C(F)(F)F)cn1
InChIInChI=1S/C9H12F6N4/c1-19-4-5(3-17-19)2-6(18-16)7(8(10,11)12)9(13,14)15/h3-4,6-7,18H,2,16H2,1H3
InChIKeyDKXBXMGJXYUECD-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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

alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
alpha,1-Dimethyl-1H-pyrazole-4-ethanamine
CID 43199853
(1R,2S)-2-(1-Methyl-1H-pyrazol-4-yl)cyclopropan-1-amine
CID 91647634
cyclobutyl(1-methyl-1H-pyrazol-4-yl)methanamine
CID 43124235
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
3-Fluoro-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidine
CID 70847466
1-(2,2-Difluoroethyl)-4-(2-methylpropyl)pyrazole
CID 118301776
4-(3-Methylbutyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 118301778

Frequently Asked Questions

What is the IUPAC name of [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine (CID 103312744) is [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine is Cn1cc(CC(NN)C(C(F)(F)F)C(F)(F)F)cn1.
What is the InChIKey of [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine?
The InChIKey is DKXBXMGJXYUECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6N4/c1-19-4-5(3-17-19)2-6(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 [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine?
[4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine has a molecular weight of 290.21 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine is sourced from PubChem (CID 103312744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).