1-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-ol

C10H16F2N2O — CID 62730900

IUPAC1-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1c(C)nn(CC(F)F)c1C
InChIInChI=1S/C10H16F2N2O/c1-4-8(15)10-6(2)13-14(7(10)3)5-9(11)12/h8-9,15H,4-5H2,1-3H3
InChIKeyOEYQBEXARDQULT-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.21
Rot. Bonds4

About 1-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-ol

1-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-ol (PubChem CID 62730900) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-ol
PubChem CID62730900
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name1-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1c(C)nn(CC(F)F)c1C
InChIInChI=1S/C10H16F2N2O/c1-4-8(15)10-6(2)13-14(7(10)3)5-9(11)12/h8-9,15H,4-5H2,1-3H3
InChIKeyOEYQBEXARDQULT-UHFFFAOYSA-N
XLogP2.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-ol (CID 62730900) is 1-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-ol is CCC(O)c1c(C)nn(CC(F)F)c1C.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-ol?
The InChIKey is OEYQBEXARDQULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-4-8(15)10-6(2)13-14(7(10)3)5-9(11)12/h8-9,15H,4-5H2,1-3H3.
What are the key properties of 1-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-ol?
1-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-ol has a molecular weight of 218.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)-3,5-dimethylpyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 62730900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).