ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol

C14H24F3N3O — CID 144862609

IUPACethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol
SMILESCC.Cc1cc(C(F)(F)F)nn1C1CCN(CC(C)O)C1
InChIInChI=1S/C12H18F3N3O.C2H6/c1-8-5-11(12(13,14)15)16-18(8)10-3-4-17(7-10)6-9(2)19;1-2/h5,9-10,19H,3-4,6-7H2,1-2H3;1-2H3
InChIKeyMPSDHCXCUAGDMK-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.86
Rot. Bonds3

About ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol

ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol (PubChem CID 144862609) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Nameethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol
PubChem CID144862609
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Nameethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol
SMILESCC.Cc1cc(C(F)(F)F)nn1C1CCN(CC(C)O)C1
InChIInChI=1S/C12H18F3N3O.C2H6/c1-8-5-11(12(13,14)15)16-18(8)10-3-4-17(7-10)6-9(2)19;1-2/h5,9-10,19H,3-4,6-7H2,1-2H3;1-2H3
InChIKeyMPSDHCXCUAGDMK-UHFFFAOYSA-N
XLogP2.86
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol (CID 144862609) is ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol is CC.Cc1cc(C(F)(F)F)nn1C1CCN(CC(C)O)C1.
What is the InChIKey of ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol?
The InChIKey is MPSDHCXCUAGDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O.C2H6/c1-8-5-11(12(13,14)15)16-18(8)10-3-4-17(7-10)6-9(2)19;1-2/h5,9-10,19H,3-4,6-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol?
ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol has a molecular weight of 307.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 144862609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).