1-[1-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)pyrazol-3-yl]-2-methylpropan-2-ol

C12H22N2O3 — CID 134910106

IUPAC1-[1-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)pyrazol-3-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1cc(C(C)(C)O)n(CCO)n1
InChIInChI=1S/C12H22N2O3/c1-11(2,16)8-9-7-10(12(3,4)17)14(13-9)5-6-15/h7,15-17H,5-6,8H2,1-4H3
InChIKeyWBWVFGJFKVHDMB-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.42
Rot. Bonds5

About 1-[1-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)pyrazol-3-yl]-2-methylpropan-2-ol

1-[1-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)pyrazol-3-yl]-2-methylpropan-2-ol (PubChem CID 134910106) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)pyrazol-3-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)pyrazol-3-yl]-2-methylpropan-2-ol
PubChem CID134910106
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[1-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)pyrazol-3-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1cc(C(C)(C)O)n(CCO)n1
InChIInChI=1S/C12H22N2O3/c1-11(2,16)8-9-7-10(12(3,4)17)14(13-9)5-6-15/h7,15-17H,5-6,8H2,1-4H3
InChIKeyWBWVFGJFKVHDMB-UHFFFAOYSA-N
XLogP0.42
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4H,5H,6H,7H-pyrazolo(1,5-a)pyridin-2-yl)methanol
CID 11845786
(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)methanol
CID 25247625
(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methanol
CID 60136488
1-(3-Cyclopropyl-1-methylpyrazol-5-yl)ethane-1,2-diol
CID 155540318
1-(1-Methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol
CID 155543530
1-(3-Cyclopentyl-1-methylpyrazol-5-yl)ethane-1,2-diol
CID 155559981
1-[3-(1-Adamantyl)-1-methylpyrazol-5-yl]ethane-1,2-diol
CID 155562876
1-(1,5-dimethyl-1H-pyrazol-3-yl)-2-methylpropan-1-ol
CID 121553424
2-(1,5-dimethyl-1H-pyrazol-3-yl)propan-2-ol
CID 53355523
1-[2-Ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol
CID 70851924
2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
CID 70967738
[5-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
CID 90300070

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)pyrazol-3-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)pyrazol-3-yl]-2-methylpropan-2-ol (CID 134910106) is 1-[1-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)pyrazol-3-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)pyrazol-3-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)pyrazol-3-yl]-2-methylpropan-2-ol is CC(C)(O)Cc1cc(C(C)(C)O)n(CCO)n1.
What is the InChIKey of 1-[1-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)pyrazol-3-yl]-2-methylpropan-2-ol?
The InChIKey is WBWVFGJFKVHDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,16)8-9-7-10(12(3,4)17)14(13-9)5-6-15/h7,15-17H,5-6,8H2,1-4H3.
What are the key properties of 1-[1-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)pyrazol-3-yl]-2-methylpropan-2-ol?
1-[1-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)pyrazol-3-yl]-2-methylpropan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)pyrazol-3-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 134910106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).