N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C12H18F3N3O — CID 43748997

IUPACN-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCc2ccn[nH]2)C1
InChIInChI=1S/C12H18F3N3O/c13-12(14,15)8-19-11-3-1-2-9(6-11)16-7-10-4-5-17-18-10/h4-5,9,11,16H,1-3,6-8H2,(H,17,18)
InChIKeyKBUIGOABNKBYME-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.39
Rot. Bonds5

About N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43748997) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43748997
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCc2ccn[nH]2)C1
InChIInChI=1S/C12H18F3N3O/c13-12(14,15)8-19-11-3-1-2-9(6-11)16-7-10-4-5-17-18-10/h4-5,9,11,16H,1-3,6-8H2,(H,17,18)
InChIKeyKBUIGOABNKBYME-UHFFFAOYSA-N
XLogP2.39
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43748997) is N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is FC(F)(F)COC1CCCC(NCc2ccn[nH]2)C1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is KBUIGOABNKBYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c13-12(14,15)8-19-11-3-1-2-9(6-11)16-7-10-4-5-17-18-10/h4-5,9,11,16H,1-3,6-8H2,(H,17,18).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 277.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43748997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).