(2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C12H14F3N3O2 — CID 7189037

IUPAC(2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESO[C@H](CNCc1ccco1)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)11-3-4-18(17-11)8-9(19)6-16-7-10-2-1-5-20-10/h1-5,9,16,19H,6-8H2/t9-/m1/s1
InChIKeyPWRRRIPBPULWCK-SECBINFHSA-N
MW289.26 g/mol
LogP1.65
Rot. Bonds6

About (2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

(2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 7189037) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is (2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID7189037
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name(2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESO[C@H](CNCc1ccco1)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)11-3-4-18(17-11)8-9(19)6-16-7-10-2-1-5-20-10/h1-5,9,16,19H,6-8H2/t9-/m1/s1
InChIKeyPWRRRIPBPULWCK-SECBINFHSA-N
XLogP1.65
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 2738628
(2R)-1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 7221655
1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 112560244
1-(3,5-dimethylpyrazol-1-yl)-3-(furan-2-ylmethylamino)propan-2-ol
CID 3157338
N,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55541052
1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 2809229
2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine
CID 62441173
1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623530
3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile
CID 103366989
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35559988
1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 106989367
1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 109411689

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 7189037) is (2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is O[C@H](CNCc1ccco1)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of (2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is PWRRRIPBPULWCK-SECBINFHSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)11-3-4-18(17-11)8-9(19)6-16-7-10-2-1-5-20-10/h1-5,9,16,19H,6-8H2/t9-/m1/s1.
What are the key properties of (2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
(2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 289.26 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(furan-2-ylmethylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 7189037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).