3-(1-methylpyrazol-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propan-1-ol

C18H24F3N3O — CID 170108767

IUPAC3-(1-methylpyrazol-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propan-1-ol
SMILESCC(CCc1ccc(C(F)(F)F)cc1)NC(CCO)c1ccn(C)n1
InChIInChI=1S/C18H24F3N3O/c1-13(22-16(10-12-25)17-9-11-24(2)23-17)3-4-14-5-7-15(8-6-14)18(19,20)21/h5-9,11,13,16,22,25H,3-4,10,12H2,1-2H3
InChIKeyNGAYYIUOPRRSCA-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.47
Rot. Bonds8

About 3-(1-methylpyrazol-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propan-1-ol

3-(1-methylpyrazol-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propan-1-ol (PubChem CID 170108767) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propan-1-ol
PubChem CID170108767
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC Name3-(1-methylpyrazol-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propan-1-ol
SMILESCC(CCc1ccc(C(F)(F)F)cc1)NC(CCO)c1ccn(C)n1
InChIInChI=1S/C18H24F3N3O/c1-13(22-16(10-12-25)17-9-11-24(2)23-17)3-4-14-5-7-15(8-6-14)18(19,20)21/h5-9,11,13,16,22,25H,3-4,10,12H2,1-2H3
InChIKeyNGAYYIUOPRRSCA-UHFFFAOYSA-N
XLogP3.47
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propan-1-ol?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propan-1-ol (CID 170108767) is 3-(1-methylpyrazol-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propan-1-ol is CC(CCc1ccc(C(F)(F)F)cc1)NC(CCO)c1ccn(C)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propan-1-ol?
The InChIKey is NGAYYIUOPRRSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O/c1-13(22-16(10-12-25)17-9-11-24(2)23-17)3-4-14-5-7-15(8-6-14)18(19,20)21/h5-9,11,13,16,22,25H,3-4,10,12H2,1-2H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propan-1-ol?
3-(1-methylpyrazol-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propan-1-ol has a molecular weight of 355.40 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propan-1-ol is sourced from PubChem (CID 170108767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).