2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol

C8H14N2O — CID 130573210

IUPAC2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol
SMILESCC(C)(C)C(O)c1cn[nH]c1
InChIInChI=1S/C8H14N2O/c1-8(2,3)7(11)6-4-9-10-5-6/h4-5,7,11H,1-3H3,(H,9,10)
InChIKeyZDEKHVBVHKUMAZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.49
Rot. Bonds1

About 2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol

2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol (PubChem CID 130573210) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol
PubChem CID130573210
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol
SMILESCC(C)(C)C(O)c1cn[nH]c1
InChIInChI=1S/C8H14N2O/c1-8(2,3)7(11)6-4-9-10-5-6/h4-5,7,11H,1-3H3,(H,9,10)
InChIKeyZDEKHVBVHKUMAZ-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol (CID 130573210) is 2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol is CC(C)(C)C(O)c1cn[nH]c1.
What is the InChIKey of 2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol?
The InChIKey is ZDEKHVBVHKUMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2,3)7(11)6-4-9-10-5-6/h4-5,7,11H,1-3H3,(H,9,10).
What are the key properties of 2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol?
2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 130573210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).