2-[3,5-dimethyl-4-[(3,3,3-trifluoropropylamino)methyl]pyrazol-1-yl]ethanol

C11H18F3N3O — CID 111469741

IUPAC2-[3,5-dimethyl-4-[(3,3,3-trifluoropropylamino)methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-8-10(7-15-4-3-11(12,13)14)9(2)17(16-8)5-6-18/h15,18H,3-7H2,1-2H3
InChIKeyVHBZZISONAMNRF-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.53
Rot. Bonds6

About 2-[3,5-dimethyl-4-[(3,3,3-trifluoropropylamino)methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[(3,3,3-trifluoropropylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 111469741) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[(3,3,3-trifluoropropylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[(3,3,3-trifluoropropylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID111469741
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name2-[3,5-dimethyl-4-[(3,3,3-trifluoropropylamino)methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-8-10(7-15-4-3-11(12,13)14)9(2)17(16-8)5-6-18/h15,18H,3-7H2,1-2H3
InChIKeyVHBZZISONAMNRF-UHFFFAOYSA-N
XLogP1.53
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[(3,3,3-trifluoropropylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[(3,3,3-trifluoropropylamino)methyl]pyrazol-1-yl]ethanol (CID 111469741) is 2-[3,5-dimethyl-4-[(3,3,3-trifluoropropylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[(3,3,3-trifluoropropylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[(3,3,3-trifluoropropylamino)methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNCCC(F)(F)F.
What is the InChIKey of 2-[3,5-dimethyl-4-[(3,3,3-trifluoropropylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is VHBZZISONAMNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-8-10(7-15-4-3-11(12,13)14)9(2)17(16-8)5-6-18/h15,18H,3-7H2,1-2H3.
What are the key properties of 2-[3,5-dimethyl-4-[(3,3,3-trifluoropropylamino)methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[(3,3,3-trifluoropropylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 265.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[(3,3,3-trifluoropropylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 111469741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).