1-[4-tert-butyl-5-(difluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol

C12H20F2N2O — CID 170927504

IUPAC1-[4-tert-butyl-5-(difluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1ncc(C(C)(C)C)c1C(F)F
InChIInChI=1S/C12H20F2N2O/c1-11(2,3)8-6-15-16(7-12(4,5)17)9(8)10(13)14/h6,10,17H,7H2,1-5H3
InChIKeyADBITUSQHFBPQT-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.89
Rot. Bonds3

About 1-[4-tert-butyl-5-(difluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-tert-butyl-5-(difluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 170927504) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is 1-[4-tert-butyl-5-(difluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-tert-butyl-5-(difluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID170927504
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name1-[4-tert-butyl-5-(difluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1ncc(C(C)(C)C)c1C(F)F
InChIInChI=1S/C12H20F2N2O/c1-11(2,3)8-6-15-16(7-12(4,5)17)9(8)10(13)14/h6,10,17H,7H2,1-5H3
InChIKeyADBITUSQHFBPQT-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-5-(difluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-tert-butyl-5-(difluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol (CID 170927504) is 1-[4-tert-butyl-5-(difluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-tert-butyl-5-(difluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-tert-butyl-5-(difluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1ncc(C(C)(C)C)c1C(F)F.
What is the InChIKey of 1-[4-tert-butyl-5-(difluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is ADBITUSQHFBPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-11(2,3)8-6-15-16(7-12(4,5)17)9(8)10(13)14/h6,10,17H,7H2,1-5H3.
What are the key properties of 1-[4-tert-butyl-5-(difluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-tert-butyl-5-(difluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 246.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-5-(difluoromethyl)pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 170927504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).