N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

C13H20F3N3 — CID 80682556

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCn1cc(CCNC2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C13H20F3N3/c1-19-9-10(8-18-19)6-7-17-12-5-3-2-4-11(12)13(14,15)16/h8-9,11-12,17H,2-7H2,1H3
InChIKeyBINOSDGUCYSKDX-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 80682556) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID80682556
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCn1cc(CCNC2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C13H20F3N3/c1-19-9-10(8-18-19)6-7-17-12-5-3-2-4-11(12)13(14,15)16/h8-9,11-12,17H,2-7H2,1H3
InChIKeyBINOSDGUCYSKDX-UHFFFAOYSA-N
XLogP2.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 106365346
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 43673874
2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol
CID 107852417
2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105114039
N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine
CID 80683078
4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 115710852
N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 80682977
2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 64759490
3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 103002222
2-[(1-methylpyrazol-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 62127989
N-[2-(1-methylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 80682877

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 80682556) is N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is Cn1cc(CCNC2CCCCC2C(F)(F)F)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is BINOSDGUCYSKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-19-9-10(8-18-19)6-7-17-12-5-3-2-4-11(12)13(14,15)16/h8-9,11-12,17H,2-7H2,1H3.
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 275.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 80682556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).