N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

C12H18F3N3 — CID 104844820

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCC(C(F)(F)F)CC1)c1cn[nH]c1
InChIInChI=1S/C12H18F3N3/c1-8(9-6-16-17-7-9)18-11-4-2-10(3-5-11)12(13,14)15/h6-8,10-11,18H,2-5H2,1H3,(H,16,17)
InChIKeyMCXAVZXKFRQKFX-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.18
Rot. Bonds3

About N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104844820) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104844820
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCC(C(F)(F)F)CC1)c1cn[nH]c1
InChIInChI=1S/C12H18F3N3/c1-8(9-6-16-17-7-9)18-11-4-2-10(3-5-11)12(13,14)15/h6-8,10-11,18H,2-5H2,1H3,(H,16,17)
InChIKeyMCXAVZXKFRQKFX-UHFFFAOYSA-N
XLogP3.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 53506695
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730745
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
CID 53506694
N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine
CID 68046756
(2S,4R)-1-tert-butyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine
CID 140925045
(5E,7E,9E)-3-ethyl-N-[1-(1H-pyrazol-4-yl)prop-2-enyl]-10-(trifluoromethyl)dodeca-5,7,9,11-tetraen-1-amine;molecular hydrogen
CID 143476746
(2S,4R)-1-methyl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine
CID 145285525
(2S,4R)-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine
CID 145285638
(2S,4R)-1-propan-2-yl-2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)piperidine
CID 147229758
(2S,4R)-1-tert-butyl-4-(1,1-difluoroethyl)-2-(1H-pyrazol-4-yl)piperidine
CID 155148359
3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperidine
CID 158164062
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730463

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 104844820) is N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is CC(NC1CCC(C(F)(F)F)CC1)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is MCXAVZXKFRQKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8(9-6-16-17-7-9)18-11-4-2-10(3-5-11)12(13,14)15/h6-8,10-11,18H,2-5H2,1H3,(H,16,17).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104844820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).