5-Pyrazoleethanol, alpha,alpha-dimethyl-

C7H12N2O — CID 212846

IUPAC2-methyl-1-(1H-pyrazol-5-yl)propan-2-ol
SMILESCC(C)(CC1=CC=NN1)O
InChIInChI=1S/C7H12N2O/c1-7(2,10)5-6-3-4-8-9-6/h3-4,10H,5H2,1-2H3,(H,8,9)
InChIKeyHGTWOJBWQKHGKE-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.40
Rot. Bonds2

About 5-Pyrazoleethanol, alpha,alpha-dimethyl-

5-Pyrazoleethanol, alpha,alpha-dimethyl- (PubChem CID 212846) has the molecular formula C7H12N2O and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-methyl-1-(1H-pyrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name5-Pyrazoleethanol, alpha,alpha-dimethyl-
PubChem CID212846
Molecular FormulaC7H12N2O
Molecular Weight140.18 g/mol
Exact Mass140.09
IUPAC Name2-methyl-1-(1H-pyrazol-5-yl)propan-2-ol
SMILESCC(C)(CC1=CC=NN1)O
InChIInChI=1S/C7H12N2O/c1-7(2,10)5-6-3-4-8-9-6/h3-4,10H,5H2,1-2H3,(H,8,9)
InChIKeyHGTWOJBWQKHGKE-UHFFFAOYSA-N
XLogP0.40
TPSA48.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity114

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-pyrazol-3-yl)ethan-1-ol
CID 15475335
3-(1H-pyrazol-3-yl)propan-1-ol
CID 53792375
3-(Propan-2-YL)-1H-pyrazole
CID 12251381
1-(1H-pyrazol-3-ylmethyl)cyclohexanol
CID 657539
2-(1H-pyrazol-3-yl)propan-2-ol
CID 53689075
(1-(1H-pyrazol-3-yl)cyclobutyl)methanol
CID 137964652
3-((1H-pyrazol-5-yl)methyl)azetidin-3-ol dihydrochloride
CID 138040099
(2R)-2-amino-2-(1H-pyrazol-5-yl)ethanol;dihydrochloride
CID 177798378
(4-Hydroxybutyl)pyrazole
CID 19424665
2-(1H-pyrazol-3-yl)propanoic acid
CID 22367851
Pyrazole-5-pinacol
CID 129860490
1,1,1-trifluoro-2-(1H-pyrazol-5-yl)propan-2-ol
CID 22273607

Frequently Asked Questions

What is the IUPAC name of 5-Pyrazoleethanol, alpha,alpha-dimethyl-?
The IUPAC name of 5-Pyrazoleethanol, alpha,alpha-dimethyl- (CID 212846) is 2-methyl-1-(1H-pyrazol-5-yl)propan-2-ol.
What is the SMILES notation for 5-Pyrazoleethanol, alpha,alpha-dimethyl-?
The canonical SMILES for 5-Pyrazoleethanol, alpha,alpha-dimethyl- is CC(C)(CC1=CC=NN1)O.
What is the InChIKey of 5-Pyrazoleethanol, alpha,alpha-dimethyl-?
The InChIKey is HGTWOJBWQKHGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7(2,10)5-6-3-4-8-9-6/h3-4,10H,5H2,1-2H3,(H,8,9).
What are the key properties of 5-Pyrazoleethanol, alpha,alpha-dimethyl-?
5-Pyrazoleethanol, alpha,alpha-dimethyl- has a molecular weight of 140.18 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Pyrazoleethanol, alpha,alpha-dimethyl- is sourced from PubChem (CID 212846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).