2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol

C7H12N2O2 — CID 115092153

IUPAC2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol
SMILESCn1nc(CCO)cc1CO
InChIInChI=1S/C7H12N2O2/c1-9-7(5-11)4-6(8-9)2-3-10/h4,10-11H,2-3,5H2,1H3
InChIKeySGXOXVPBIIQVIS-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.55
Rot. Bonds3

About 2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol

2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol (PubChem CID 115092153) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol
PubChem CID115092153
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol
SMILESCn1nc(CCO)cc1CO
InChIInChI=1S/C7H12N2O2/c1-9-7(5-11)4-6(8-9)2-3-10/h4,10-11H,2-3,5H2,1H3
InChIKeySGXOXVPBIIQVIS-UHFFFAOYSA-N
XLogP-0.55
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol
CID 115092133
(5-ethyl-1-methylpyrazol-3-yl)methanol
CID 23005581
tert-butyl N-[2-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]ethyl]carbamate
CID 175661258
[3-[(1-ethylpiperidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanol
CID 115092755
3-(1-methyl-5-propylpyrazol-3-yl)propan-1-amine
CID 105439768
ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol
CID 168921661
(3-ethyl-1-propylpyrazol-5-yl)methanol
CID 122663118
[1-methyl-5-(2-phenylmethoxyethyl)pyrazol-3-yl]methanol
CID 155905737
[1-methyl-3-(5-methylthiophen-2-yl)pyrazol-5-yl]methanol
CID 115092905
1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
CID 106677524
[3-(5-bromofuran-2-yl)-1-methylpyrazol-5-yl]methanol
CID 115092903
[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methanol
CID 115093183

Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol?
The IUPAC name of 2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol (CID 115092153) is 2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol?
The canonical SMILES for 2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol is Cn1nc(CCO)cc1CO.
What is the InChIKey of 2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol?
The InChIKey is SGXOXVPBIIQVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-9-7(5-11)4-6(8-9)2-3-10/h4,10-11H,2-3,5H2,1H3.
What are the key properties of 2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol?
2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol has a molecular weight of 156.18 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]ethanol is sourced from PubChem (CID 115092153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).