2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol

C17H20F3N3O — CID 111977142

IUPAC2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol
SMILESCC(CO)(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC1
InChIInChI=1S/C17H20F3N3O/c1-16(11-24,13-4-5-13)21-10-12-2-6-14(7-3-12)23-9-8-15(22-23)17(18,19)20/h2-3,6-9,13,21,24H,4-5,10-11H2,1H3
InChIKeyACKYDFUWBDCBPA-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.14
Rot. Bonds6

About 2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol

2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol (PubChem CID 111977142) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol
PubChem CID111977142
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol
SMILESCC(CO)(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC1
InChIInChI=1S/C17H20F3N3O/c1-16(11-24,13-4-5-13)21-10-12-2-6-14(7-3-12)23-9-8-15(22-23)17(18,19)20/h2-3,6-9,13,21,24H,4-5,10-11H2,1H3
InChIKeyACKYDFUWBDCBPA-UHFFFAOYSA-N
XLogP3.14
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol (CID 111977142) is 2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol is CC(CO)(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol?
The InChIKey is ACKYDFUWBDCBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-16(11-24,13-4-5-13)21-10-12-2-6-14(7-3-12)23-9-8-15(22-23)17(18,19)20/h2-3,6-9,13,21,24H,4-5,10-11H2,1H3.
What are the key properties of 2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol?
2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol has a molecular weight of 339.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 111977142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).