[5-[[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]methyl]furan-2-yl]methanol

C15H13F3N4O2 — CID 75471646

IUPAC[5-[[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccn(-c3ncccc3C(F)(F)F)n2)o1
InChIInChI=1S/C15H13F3N4O2/c16-15(17,18)12-2-1-6-19-14(12)22-7-5-13(21-22)20-8-10-3-4-11(9-23)24-10/h1-7,23H,8-9H2,(H,20,21)
InChIKeyDPMYKBFZOZBITO-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.98
Rot. Bonds5

About [5-[[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]methyl]furan-2-yl]methanol

[5-[[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]methyl]furan-2-yl]methanol (PubChem CID 75471646) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is [5-[[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]methyl]furan-2-yl]methanol
PubChem CID75471646
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC Name[5-[[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccn(-c3ncccc3C(F)(F)F)n2)o1
InChIInChI=1S/C15H13F3N4O2/c16-15(17,18)12-2-1-6-19-14(12)22-7-5-13(21-22)20-8-10-3-4-11(9-23)24-10/h1-7,23H,8-9H2,(H,20,21)
InChIKeyDPMYKBFZOZBITO-UHFFFAOYSA-N
XLogP2.98
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-[[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]methyl]furan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]methyl]furan-2-yl]methanol (CID 75471646) is [5-[[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]methyl]furan-2-yl]methanol is OCc1ccc(CNc2ccn(-c3ncccc3C(F)(F)F)n2)o1.
What is the InChIKey of [5-[[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]methyl]furan-2-yl]methanol?
The InChIKey is DPMYKBFZOZBITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c16-15(17,18)12-2-1-6-19-14(12)22-7-5-13(21-22)20-8-10-3-4-11(9-23)24-10/h1-7,23H,8-9H2,(H,20,21).
What are the key properties of [5-[[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]methyl]furan-2-yl]methanol?
[5-[[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]methyl]furan-2-yl]methanol has a molecular weight of 338.29 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 75471646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).