3-tert-butyl-1-methylpyrazol-4-ol

C8H14N2O — CID 91585903

IUPAC3-tert-butyl-1-methylpyrazol-4-ol
SMILESCn1cc(O)c(C(C)(C)C)n1
InChIInChI=1S/C8H14N2O/c1-8(2,3)7-6(11)5-10(4)9-7/h5,11H,1-4H3
InChIKeyXSLGLVASFVQCQZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.42
Rot. Bonds

About 3-tert-butyl-1-methylpyrazol-4-ol

3-tert-butyl-1-methylpyrazol-4-ol (PubChem CID 91585903) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-tert-butyl-1-methylpyrazol-4-ol.

Molecular Properties

Compound Name3-tert-butyl-1-methylpyrazol-4-ol
PubChem CID91585903
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-tert-butyl-1-methylpyrazol-4-ol
SMILESCn1cc(O)c(C(C)(C)C)n1
InChIInChI=1S/C8H14N2O/c1-8(2,3)7-6(11)5-10(4)9-7/h5,11H,1-4H3
InChIKeyXSLGLVASFVQCQZ-UHFFFAOYSA-N
XLogP1.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methylpyrazol-4-ol?
The IUPAC name of 3-tert-butyl-1-methylpyrazol-4-ol (CID 91585903) is 3-tert-butyl-1-methylpyrazol-4-ol.
What is the SMILES notation for 3-tert-butyl-1-methylpyrazol-4-ol?
The canonical SMILES for 3-tert-butyl-1-methylpyrazol-4-ol is Cn1cc(O)c(C(C)(C)C)n1.
What is the InChIKey of 3-tert-butyl-1-methylpyrazol-4-ol?
The InChIKey is XSLGLVASFVQCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2,3)7-6(11)5-10(4)9-7/h5,11H,1-4H3.
What are the key properties of 3-tert-butyl-1-methylpyrazol-4-ol?
3-tert-butyl-1-methylpyrazol-4-ol has a molecular weight of 154.21 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methylpyrazol-4-ol is sourced from PubChem (CID 91585903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).