N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C16H24F3N3O — CID 128976292

IUPACN-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H24F3N3O/c1-22-14(6-8-21-22)15-11(7-9-23-15)10-20-13-4-2-12(3-5-13)16(17,18)19/h6,8,11-13,15,20H,2-5,7,9-10H2,1H3/t11-,12?,13?,15+/m0/s1
InChIKeyISAYMLHHADPXKK-LFUGVXIPSA-N
MW331.38 g/mol
LogP3.21
Rot. Bonds4

About N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 128976292) has the molecular formula C16H24F3N3O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID128976292
Molecular FormulaC16H24F3N3O
Molecular Weight331.38 g/mol
Exact Mass331.19
IUPAC NameN-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H24F3N3O/c1-22-14(6-8-21-22)15-11(7-9-23-15)10-20-13-4-2-12(3-5-13)16(17,18)19/h6,8,11-13,15,20H,2-5,7,9-10H2,1H3/t11-,12?,13?,15+/m0/s1
InChIKeyISAYMLHHADPXKK-LFUGVXIPSA-N
XLogP3.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 128976292) is N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine is Cn1nccc1[C@@H]1OCC[C@H]1CNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is ISAYMLHHADPXKK-LFUGVXIPSA-N. The full InChI is InChI=1S/C16H24F3N3O/c1-22-14(6-8-21-22)15-11(7-9-23-15)10-20-13-4-2-12(3-5-13)16(17,18)19/h6,8,11-13,15,20H,2-5,7,9-10H2,1H3/t11-,12?,13?,15+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 331.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 128976292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).