(4-tert-butyl-1H-pyrazol-5-yl)methanol

C8H14N2O — CID 58477467

IUPAC(4-tert-butyl-1H-pyrazol-5-yl)methanol
SMILESCC(C)(C)c1cn[nH]c1CO
InChIInChI=1S/C8H14N2O/c1-8(2,3)6-4-9-10-7(6)5-11/h4,11H,5H2,1-3H3,(H,9,10)
InChIKeyACUNHOOYDDAQCB-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.20
Rot. Bonds1

About (4-tert-butyl-1H-pyrazol-5-yl)methanol

(4-tert-butyl-1H-pyrazol-5-yl)methanol (PubChem CID 58477467) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (4-tert-butyl-1H-pyrazol-5-yl)methanol.

Molecular Properties

Compound Name(4-tert-butyl-1H-pyrazol-5-yl)methanol
PubChem CID58477467
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(4-tert-butyl-1H-pyrazol-5-yl)methanol
SMILESCC(C)(C)c1cn[nH]c1CO
InChIInChI=1S/C8H14N2O/c1-8(2,3)6-4-9-10-7(6)5-11/h4,11H,5H2,1-3H3,(H,9,10)
InChIKeyACUNHOOYDDAQCB-UHFFFAOYSA-N
XLogP1.20
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1H-pyrazol-5-yl)methanol?
The IUPAC name of (4-tert-butyl-1H-pyrazol-5-yl)methanol (CID 58477467) is (4-tert-butyl-1H-pyrazol-5-yl)methanol.
What is the SMILES notation for (4-tert-butyl-1H-pyrazol-5-yl)methanol?
The canonical SMILES for (4-tert-butyl-1H-pyrazol-5-yl)methanol is CC(C)(C)c1cn[nH]c1CO.
What is the InChIKey of (4-tert-butyl-1H-pyrazol-5-yl)methanol?
The InChIKey is ACUNHOOYDDAQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2,3)6-4-9-10-7(6)5-11/h4,11H,5H2,1-3H3,(H,9,10).
What are the key properties of (4-tert-butyl-1H-pyrazol-5-yl)methanol?
(4-tert-butyl-1H-pyrazol-5-yl)methanol has a molecular weight of 154.21 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1H-pyrazol-5-yl)methanol is sourced from PubChem (CID 58477467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).