2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol

C19H23F3N4O — CID 167878081

IUPAC2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol
SMILESCC(C)(O)c1ccc(NC2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nn1
InChIInChI=1S/C19H23F3N4O/c1-18(2,27)16-7-8-17(25-24-16)23-15-9-10-26(12-15)11-13-3-5-14(6-4-13)19(20,21)22/h3-8,15,27H,9-12H2,1-2H3,(H,23,25)
InChIKeyCGCZILQKZPRQFX-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.41
Rot. Bonds5

About 2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol

2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol (PubChem CID 167878081) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol
PubChem CID167878081
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol
SMILESCC(C)(O)c1ccc(NC2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nn1
InChIInChI=1S/C19H23F3N4O/c1-18(2,27)16-7-8-17(25-24-16)23-15-9-10-26(12-15)11-13-3-5-14(6-4-13)19(20,21)22/h3-8,15,27H,9-12H2,1-2H3,(H,23,25)
InChIKeyCGCZILQKZPRQFX-UHFFFAOYSA-N
XLogP3.41
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol?
The IUPAC name of 2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol (CID 167878081) is 2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol?
The canonical SMILES for 2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol is CC(C)(O)c1ccc(NC2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nn1.
What is the InChIKey of 2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol?
The InChIKey is CGCZILQKZPRQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-18(2,27)16-7-8-17(25-24-16)23-15-9-10-26(12-15)11-13-3-5-14(6-4-13)19(20,21)22/h3-8,15,27H,9-12H2,1-2H3,(H,23,25).
What are the key properties of 2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol?
2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol has a molecular weight of 380.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]pyridazin-3-yl]propan-2-ol is sourced from PubChem (CID 167878081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).