(2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C14H24N2O2 — CID 105132053

IUPAC(2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCc1cc(C(O)C2CC(C)(C)OC2(C)C)n(C)n1
InChIInChI=1S/C14H24N2O2/c1-9-7-11(16(6)15-9)12(17)10-8-13(2,3)18-14(10,4)5/h7,10,12,17H,8H2,1-6H3
InChIKeyNAJVTJZUHQLFPW-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.36
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

(2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 105132053) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID105132053
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCc1cc(C(O)C2CC(C)(C)OC2(C)C)n(C)n1
InChIInChI=1S/C14H24N2O2/c1-9-7-11(16(6)15-9)12(17)10-8-13(2,3)18-14(10,4)5/h7,10,12,17H,8H2,1-6H3
InChIKeyNAJVTJZUHQLFPW-UHFFFAOYSA-N
XLogP2.36
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 105132053) is (2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is Cc1cc(C(O)C2CC(C)(C)OC2(C)C)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is NAJVTJZUHQLFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9-7-11(16(6)15-9)12(17)10-8-13(2,3)18-14(10,4)5/h7,10,12,17H,8H2,1-6H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
(2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 252.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 105132053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).