1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-ol

C13H20N4O — CID 12603688

IUPAC1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(O)Cn2nc(C)cc2C)n1
InChIInChI=1S/C13H20N4O/c1-9-5-11(3)16(14-9)7-13(18)8-17-12(4)6-10(2)15-17/h5-6,13,18H,7-8H2,1-4H3
InChIKeyZTZMAADDAYABDT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.37
Rot. Bonds4

About 1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-ol

1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-ol (PubChem CID 12603688) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-ol
PubChem CID12603688
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(O)Cn2nc(C)cc2C)n1
InChIInChI=1S/C13H20N4O/c1-9-5-11(3)16(14-9)7-13(18)8-17-12(4)6-10(2)15-17/h5-6,13,18H,7-8H2,1-4H3
InChIKeyZTZMAADDAYABDT-UHFFFAOYSA-N
XLogP1.37
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-ol (CID 12603688) is 1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-ol is Cc1cc(C)n(CC(O)Cn2nc(C)cc2C)n1.
What is the InChIKey of 1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is ZTZMAADDAYABDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-5-11(3)16(14-9)7-13(18)8-17-12(4)6-10(2)15-17/h5-6,13,18H,7-8H2,1-4H3.
What are the key properties of 1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-ol?
1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 248.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 12603688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).