4-(5-imidazol-1-ylpyrazol-1-yl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

C15H20F3N5 — CID 175222124

IUPAC4-(5-imidazol-1-ylpyrazol-1-yl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC1(NCC(F)(F)F)CCC(n2nccc2-n2ccnc2)CC1
InChIInChI=1S/C15H20F3N5/c1-14(20-10-15(16,17)18)5-2-12(3-6-14)23-13(4-7-21-23)22-9-8-19-11-22/h4,7-9,11-12,20H,2-3,5-6,10H2,1H3
InChIKeyRGBLLLWKEVOTME-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.09
Rot. Bonds4

About 4-(5-imidazol-1-ylpyrazol-1-yl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

4-(5-imidazol-1-ylpyrazol-1-yl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (PubChem CID 175222124) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is 4-(5-imidazol-1-ylpyrazol-1-yl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(5-imidazol-1-ylpyrazol-1-yl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
PubChem CID175222124
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC Name4-(5-imidazol-1-ylpyrazol-1-yl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC1(NCC(F)(F)F)CCC(n2nccc2-n2ccnc2)CC1
InChIInChI=1S/C15H20F3N5/c1-14(20-10-15(16,17)18)5-2-12(3-6-14)23-13(4-7-21-23)22-9-8-19-11-22/h4,7-9,11-12,20H,2-3,5-6,10H2,1H3
InChIKeyRGBLLLWKEVOTME-UHFFFAOYSA-N
XLogP3.09
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-imidazol-1-ylpyrazol-1-yl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The IUPAC name of 4-(5-imidazol-1-ylpyrazol-1-yl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (CID 175222124) is 4-(5-imidazol-1-ylpyrazol-1-yl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(5-imidazol-1-ylpyrazol-1-yl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(5-imidazol-1-ylpyrazol-1-yl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is CC1(NCC(F)(F)F)CCC(n2nccc2-n2ccnc2)CC1.
What is the InChIKey of 4-(5-imidazol-1-ylpyrazol-1-yl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The InChIKey is RGBLLLWKEVOTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-14(20-10-15(16,17)18)5-2-12(3-6-14)23-13(4-7-21-23)22-9-8-19-11-22/h4,7-9,11-12,20H,2-3,5-6,10H2,1H3.
What are the key properties of 4-(5-imidazol-1-ylpyrazol-1-yl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
4-(5-imidazol-1-ylpyrazol-1-yl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine has a molecular weight of 327.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-imidazol-1-ylpyrazol-1-yl)-1-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 175222124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).