1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol

C10H18N2O — CID 105096744

IUPAC1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol
SMILESCc1cc(C(O)C(C)(C)C)n(C)n1
InChIInChI=1S/C10H18N2O/c1-7-6-8(12(5)11-7)9(13)10(2,3)4/h6,9,13H,1-5H3
InChIKeyOOWMCQWIWMKSEI-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.81
Rot. Bonds1

About 1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol

1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol (PubChem CID 105096744) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol
PubChem CID105096744
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol
SMILESCc1cc(C(O)C(C)(C)C)n(C)n1
InChIInChI=1S/C10H18N2O/c1-7-6-8(12(5)11-7)9(13)10(2,3)4/h6,9,13H,1-5H3
InChIKeyOOWMCQWIWMKSEI-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol
CID 105110508
(2,5-dimethylpyrazol-3-yl)-phenylmethanol
CID 105076375
3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598009
1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol
CID 105122769
1-(2,5-dimethylpyrazol-3-yl)-3-ethylpentan-1-ol
CID 105122554
3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid
CID 82601652
3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598008
5-heptan-4-yl-1,3-dimethylpyrazole
CID 143472478
1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
CID 105077036
(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methanol
CID 107562168
(2S)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 66126250
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065836

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol (CID 105096744) is 1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol is Cc1cc(C(O)C(C)(C)C)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is OOWMCQWIWMKSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7-6-8(12(5)11-7)9(13)10(2,3)4/h6,9,13H,1-5H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol?
1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 182.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 105096744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).