1-[3-[5-amino-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol

C13H16F2N4O — CID 156539746

IUPAC1-[3-[5-amino-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1ccc(-c2ncc(N)cc2C(F)F)n1
InChIInChI=1S/C13H16F2N4O/c1-13(2,20)7-19-4-3-10(18-19)11-9(12(14)15)5-8(16)6-17-11/h3-6,12,20H,7,16H2,1-2H3
InChIKeyYJGGOBOHVFRIGN-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.24
Rot. Bonds4

About 1-[3-[5-amino-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[3-[5-amino-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 156539746) has the molecular formula C13H16F2N4O and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-[3-[5-amino-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-[5-amino-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID156539746
Molecular FormulaC13H16F2N4O
Molecular Weight282.29 g/mol
Exact Mass282.13
IUPAC Name1-[3-[5-amino-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1ccc(-c2ncc(N)cc2C(F)F)n1
InChIInChI=1S/C13H16F2N4O/c1-13(2,20)7-19-4-3-10(18-19)11-9(12(14)15)5-8(16)6-17-11/h3-6,12,20H,7,16H2,1-2H3
InChIKeyYJGGOBOHVFRIGN-UHFFFAOYSA-N
XLogP2.24
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-amino-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-[5-amino-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 156539746) is 1-[3-[5-amino-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-[5-amino-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-[5-amino-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1ccc(-c2ncc(N)cc2C(F)F)n1.
What is the InChIKey of 1-[3-[5-amino-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is YJGGOBOHVFRIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O/c1-13(2,20)7-19-4-3-10(18-19)11-9(12(14)15)5-8(16)6-17-11/h3-6,12,20H,7,16H2,1-2H3.
What are the key properties of 1-[3-[5-amino-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[3-[5-amino-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 282.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-amino-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 156539746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).