N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine

C12H18F3N3 — CID 64759430

IUPACN-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCCn2cccn2)C1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)10-3-1-4-11(9-10)16-6-8-18-7-2-5-17-18/h2,5,7,10-11,16H,1,3-4,6,8-9H2
InChIKeyPFNUIFGFBSUJCB-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.59
Rot. Bonds4

About N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64759430) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64759430
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCCn2cccn2)C1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)10-3-1-4-11(9-10)16-6-8-18-7-2-5-17-18/h2,5,7,10-11,16H,1,3-4,6,8-9H2
InChIKeyPFNUIFGFBSUJCB-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine
CID 79458214
N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758617
3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115708654
N-(2-thiomorpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609632
cis-(1R,3S)-3-(3-pyrazol-1-ylpropylamino)cyclohexane-1-carbonitrile
CID 99777730
N-(2-pyrazol-1-ylethyl)oxolan-3-amine
CID 63335100
N-[(2-ethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 115761677
cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 124830068
5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 107302816
1-cyclopropyl-5-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine
CID 115871543
N-[2-(1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759630
N-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 54951074

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64759430) is N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCC(NCCn2cccn2)C1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is PFNUIFGFBSUJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c13-12(14,15)10-3-1-4-11(9-10)16-6-8-18-7-2-5-17-18/h2,5,7,10-11,16H,1,3-4,6,8-9H2.
What are the key properties of N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64759430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).