2-[2,6-dichloro-4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine

C10H12Cl2F3N3 — CID 163804174

IUPAC2-[2,6-dichloro-4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
SMILESNc1ccnn1C1C(Cl)CC(C(F)(F)F)CC1Cl
InChIInChI=1S/C10H12Cl2F3N3/c11-6-3-5(10(13,14)15)4-7(12)9(6)18-8(16)1-2-17-18/h1-2,5-7,9H,3-4,16H2
InChIKeyNHOIXUPURGLSOY-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.19
Rot. Bonds1

About 2-[2,6-dichloro-4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine

2-[2,6-dichloro-4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine (PubChem CID 163804174) has the molecular formula C10H12Cl2F3N3 and a molecular weight of 302.13 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[2,6-dichloro-4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
PubChem CID163804174
Molecular FormulaC10H12Cl2F3N3
Molecular Weight302.13 g/mol
Exact Mass301.04
IUPAC Name2-[2,6-dichloro-4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
SMILESNc1ccnn1C1C(Cl)CC(C(F)(F)F)CC1Cl
InChIInChI=1S/C10H12Cl2F3N3/c11-6-3-5(10(13,14)15)4-7(12)9(6)18-8(16)1-2-17-18/h1-2,5-7,9H,3-4,16H2
InChIKeyNHOIXUPURGLSOY-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazol-5-amine
CID 64754078
4-Chloro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64754279
2-[3-(Trifluoromethyl)cyclohexyl]pyrazol-3-amine
CID 64758208
1-(4-methylcyclohexyl)-1H-pyrazol-5-amine
CID 16782687

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
The IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine (CID 163804174) is 2-[2,6-dichloro-4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine.
What is the SMILES notation for 2-[2,6-dichloro-4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
The canonical SMILES for 2-[2,6-dichloro-4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine is Nc1ccnn1C1C(Cl)CC(C(F)(F)F)CC1Cl.
What is the InChIKey of 2-[2,6-dichloro-4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
The InChIKey is NHOIXUPURGLSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2F3N3/c11-6-3-5(10(13,14)15)4-7(12)9(6)18-8(16)1-2-17-18/h1-2,5-7,9H,3-4,16H2.
What are the key properties of 2-[2,6-dichloro-4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
2-[2,6-dichloro-4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine has a molecular weight of 302.13 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine is sourced from PubChem (CID 163804174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).