3-(3,5-diethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol

C10H15F3N2O — CID 82695099

IUPAC3-(3,5-diethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCc1cc(CC)n(CC(O)C(F)(F)F)n1
InChIInChI=1S/C10H15F3N2O/c1-3-7-5-8(4-2)15(14-7)6-9(16)10(11,12)13/h5,9,16H,3-4,6H2,1-2H3
InChIKeyKYAWHUMZSNIHMV-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.93
Rot. Bonds4

About 3-(3,5-diethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol

3-(3,5-diethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 82695099) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 3-(3,5-diethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(3,5-diethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID82695099
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name3-(3,5-diethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESCCc1cc(CC)n(CC(O)C(F)(F)F)n1
InChIInChI=1S/C10H15F3N2O/c1-3-7-5-8(4-2)15(14-7)6-9(16)10(11,12)13/h5,9,16H,3-4,6H2,1-2H3
InChIKeyKYAWHUMZSNIHMV-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol (CID 82695099) is 3-(3,5-diethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(3,5-diethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(3,5-diethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol is CCc1cc(CC)n(CC(O)C(F)(F)F)n1.
What is the InChIKey of 3-(3,5-diethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is KYAWHUMZSNIHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-3-7-5-8(4-2)15(14-7)6-9(16)10(11,12)13/h5,9,16H,3-4,6H2,1-2H3.
What are the key properties of 3-(3,5-diethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol?
3-(3,5-diethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 236.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diethylpyrazol-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 82695099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).