[3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine

C14H23F3N4 — CID 103025659

IUPAC[3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine
SMILESCn1cc(CCC(NN)C2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C14H23F3N4/c1-21-9-10(8-19-21)6-7-13(20-18)11-4-2-3-5-12(11)14(15,16)17/h8-9,11-13,20H,2-7,18H2,1H3
InChIKeyHWYIHUKUODALJG-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.55
Rot. Bonds5

About [3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine

[3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine (PubChem CID 103025659) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is [3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine.

Molecular Properties

Compound Name[3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine
PubChem CID103025659
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC Name[3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine
SMILESCn1cc(CCC(NN)C2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C14H23F3N4/c1-21-9-10(8-19-21)6-7-13(20-18)11-4-2-3-5-12(11)14(15,16)17/h8-9,11-13,20H,2-7,18H2,1H3
InChIKeyHWYIHUKUODALJG-UHFFFAOYSA-N
XLogP2.55
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.55
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

{[1-ethyl-2-(1-methyl-1H-pyrazol-4-yl)piperidin-3-yl]methyl}(methyl)amine
CID 64067740
3-cyclopropyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 121570471
4-[3,3-Difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine
CID 18187752
1-(2,2-Difluoroethyl)-4-octan-2-ylpyrazole
CID 126500106
[5-Fluoro-3-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-6-yl]hydrazine
CID 139386897
(2S,4R)-2-(1-methylpyrazol-4-yl)-1-propan-2-yl-4-(trifluoromethyl)piperidine
CID 140925151
(2R,5S)-5-[1-(2,2-difluoropropyl)pyrazol-4-yl]-2-methylpiperidine
CID 145069957
4-[1-(Difluoromethyl)pyrazol-4-yl]cyclohexan-1-amine
CID 146345370
4-[1-(Difluoromethyl)-3-methylpyrazol-4-yl]cyclohexan-1-amine
CID 146389229
4-[1-(Trifluoromethyl)pyrazol-4-yl]cyclohexan-1-amine
CID 146389778
4-[1-(2,2-Difluoroethyl)pyrazol-4-yl]cyclohexan-1-amine
CID 146389779
4-[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]cyclohexan-1-amine
CID 146389784

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine?
The IUPAC name of [3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine (CID 103025659) is [3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine.
What is the SMILES notation for [3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine?
The canonical SMILES for [3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine is Cn1cc(CCC(NN)C2CCCCC2C(F)(F)F)cn1.
What is the InChIKey of [3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine?
The InChIKey is HWYIHUKUODALJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-21-9-10(8-19-21)6-7-13(20-18)11-4-2-3-5-12(11)14(15,16)17/h8-9,11-13,20H,2-7,18H2,1H3.
What are the key properties of [3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine?
[3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine has a molecular weight of 304.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]propyl]hydrazine is sourced from PubChem (CID 103025659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).