[(3S)-1-[6-phenyl-4-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol

C16H16F3N3O — CID 164635624

IUPAC[(3S)-1-[6-phenyl-4-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(c2nnc(-c3ccccc3)cc2C(F)(F)F)C1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)13-8-14(12-4-2-1-3-5-12)20-21-15(13)22-7-6-11(9-22)10-23/h1-5,8,11,23H,6-7,9-10H2/t11-/m0/s1
InChIKeyUISBPRWNNPGVMG-NSHDSACASA-N
MW323.32 g/mol
LogP2.98
Rot. Bonds3

About [(3S)-1-[6-phenyl-4-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol

[(3S)-1-[6-phenyl-4-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol (PubChem CID 164635624) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is [(3S)-1-[6-phenyl-4-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[6-phenyl-4-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol
PubChem CID164635624
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name[(3S)-1-[6-phenyl-4-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(c2nnc(-c3ccccc3)cc2C(F)(F)F)C1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)13-8-14(12-4-2-1-3-5-12)20-21-15(13)22-7-6-11(9-22)10-23/h1-5,8,11,23H,6-7,9-10H2/t11-/m0/s1
InChIKeyUISBPRWNNPGVMG-NSHDSACASA-N
XLogP2.98
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[6-phenyl-4-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[6-phenyl-4-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol (CID 164635624) is [(3S)-1-[6-phenyl-4-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[6-phenyl-4-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[6-phenyl-4-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol is OC[C@H]1CCN(c2nnc(-c3ccccc3)cc2C(F)(F)F)C1.
What is the InChIKey of [(3S)-1-[6-phenyl-4-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol?
The InChIKey is UISBPRWNNPGVMG-NSHDSACASA-N. The full InChI is InChI=1S/C16H16F3N3O/c17-16(18,19)13-8-14(12-4-2-1-3-5-12)20-21-15(13)22-7-6-11(9-22)10-23/h1-5,8,11,23H,6-7,9-10H2/t11-/m0/s1.
What are the key properties of [(3S)-1-[6-phenyl-4-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol?
[(3S)-1-[6-phenyl-4-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol has a molecular weight of 323.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[6-phenyl-4-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 164635624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).