(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol

C10H18N2O — CID 55255170

IUPAC(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol
SMILESCc1nn(C(C)(C)C)c(C)c1CO
InChIInChI=1S/C10H18N2O/c1-7-9(6-13)8(2)12(11-7)10(3,4)5/h13H,6H2,1-5H3
InChIKeySYDGBGRYHYPTTD-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.75
Rot. Bonds1

About (1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol

(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol (PubChem CID 55255170) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol
PubChem CID55255170
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol
SMILESCc1nn(C(C)(C)C)c(C)c1CO
InChIInChI=1S/C10H18N2O/c1-7-9(6-13)8(2)12(11-7)10(3,4)5/h13H,6H2,1-5H3
InChIKeySYDGBGRYHYPTTD-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol?
The IUPAC name of (1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol (CID 55255170) is (1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for (1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol is Cc1nn(C(C)(C)C)c(C)c1CO.
What is the InChIKey of (1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol?
The InChIKey is SYDGBGRYHYPTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7-9(6-13)8(2)12(11-7)10(3,4)5/h13H,6H2,1-5H3.
What are the key properties of (1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol?
(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol has a molecular weight of 182.27 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-3,5-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 55255170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).