[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol

C12H12F3N3O — CID 86690730

IUPAC[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol
SMILESOCc1cccnc1-c1ccnn1CCC(F)(F)F
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)4-7-18-10(3-6-17-18)11-9(8-19)2-1-5-16-11/h1-3,5-6,19H,4,7-8H2
InChIKeyPFVCXUKCRUKBPB-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.39
Rot. Bonds4

About [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol

[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol (PubChem CID 86690730) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol
PubChem CID86690730
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol
SMILESOCc1cccnc1-c1ccnn1CCC(F)(F)F
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)4-7-18-10(3-6-17-18)11-9(8-19)2-1-5-16-11/h1-3,5-6,19H,4,7-8H2
InChIKeyPFVCXUKCRUKBPB-UHFFFAOYSA-N
XLogP2.39
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]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 [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol?
The IUPAC name of [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol (CID 86690730) is [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol?
The canonical SMILES for [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol is OCc1cccnc1-c1ccnn1CCC(F)(F)F.
What is the InChIKey of [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol?
The InChIKey is PFVCXUKCRUKBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-12(14,15)4-7-18-10(3-6-17-18)11-9(8-19)2-1-5-16-11/h1-3,5-6,19H,4,7-8H2.
What are the key properties of [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol?
[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol has a molecular weight of 271.24 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 86690730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).