1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol

C13H16F3N3O2 — CID 154758484

IUPAC1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol
SMILESCc1ccc(-c2[nH]ncc2CN(C)CC(O)C(F)(F)F)o1
InChIInChI=1S/C13H16F3N3O2/c1-8-3-4-10(21-8)12-9(5-17-18-12)6-19(2)7-11(20)13(14,15)16/h3-5,11,20H,6-7H2,1-2H3,(H,17,18)
InChIKeyKQCMVYWJQWBXEQ-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.33
Rot. Bonds5

About 1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol

1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol (PubChem CID 154758484) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol
PubChem CID154758484
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol
SMILESCc1ccc(-c2[nH]ncc2CN(C)CC(O)C(F)(F)F)o1
InChIInChI=1S/C13H16F3N3O2/c1-8-3-4-10(21-8)12-9(5-17-18-12)6-19(2)7-11(20)13(14,15)16/h3-5,11,20H,6-7H2,1-2H3,(H,17,18)
InChIKeyKQCMVYWJQWBXEQ-UHFFFAOYSA-N
XLogP2.33
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol 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 1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol (CID 154758484) is 1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol is Cc1ccc(-c2[nH]ncc2CN(C)CC(O)C(F)(F)F)o1.
What is the InChIKey of 1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol?
The InChIKey is KQCMVYWJQWBXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-8-3-4-10(21-8)12-9(5-17-18-12)6-19(2)7-11(20)13(14,15)16/h3-5,11,20H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol?
1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol has a molecular weight of 303.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[methyl-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]amino]propan-2-ol is sourced from PubChem (CID 154758484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).