5-(hydroxymethyl)-1H-pyrazol-4-ol

C4H6N2O2 — CID 20557721

IUPAC5-(hydroxymethyl)-1H-pyrazol-4-ol
SMILESOCc1[nH]ncc1O
InChIInChI=1S/C4H6N2O2/c7-2-3-4(8)1-5-6-3/h1,7-8H,2H2,(H,5,6)
InChIKeyBHRAYESOFUXYSL-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.39
Rot. Bonds1

About 5-(hydroxymethyl)-1H-pyrazol-4-ol

5-(hydroxymethyl)-1H-pyrazol-4-ol (PubChem CID 20557721) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-1H-pyrazol-4-ol
PubChem CID20557721
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name5-(hydroxymethyl)-1H-pyrazol-4-ol
SMILESOCc1[nH]ncc1O
InChIInChI=1S/C4H6N2O2/c7-2-3-4(8)1-5-6-3/h1,7-8H,2H2,(H,5,6)
InChIKeyBHRAYESOFUXYSL-UHFFFAOYSA-N
XLogP-0.39
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(hydroxymethyl)-1H-pyrazol-4-yl]ethanol
CID 151539359
5-chloro-1H-pyrazol-4-ol
CID 117232822
[4-(2-methylphenyl)-1H-pyrazol-5-yl]methanol
CID 105422819
[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 105423037
2-(4-bromo-1H-pyrazol-5-yl)ethanol
CID 84662969
4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol
CID 105423241
5-(chloromethyl)-4-fluoro-1H-pyrazole
CID 135350699
4-chloro-5-ethyl-1H-pyrazole;ethane
CID 176927046
5-(carboxymethyl)-1H-pyrazole-4-carboxylic acid
CID 82598112
5-trityl-1H-pyrazol-4-ol
CID 70097747
5-(2-fluorophenyl)-1H-pyrazol-4-ol
CID 105437297
1H-pyrazol-4-ylmethanol
CID 3015210

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1H-pyrazol-4-ol?
The IUPAC name of 5-(hydroxymethyl)-1H-pyrazol-4-ol (CID 20557721) is 5-(hydroxymethyl)-1H-pyrazol-4-ol.
What is the SMILES notation for 5-(hydroxymethyl)-1H-pyrazol-4-ol?
The canonical SMILES for 5-(hydroxymethyl)-1H-pyrazol-4-ol is OCc1[nH]ncc1O.
What is the InChIKey of 5-(hydroxymethyl)-1H-pyrazol-4-ol?
The InChIKey is BHRAYESOFUXYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c7-2-3-4(8)1-5-6-3/h1,7-8H,2H2,(H,5,6).
What are the key properties of 5-(hydroxymethyl)-1H-pyrazol-4-ol?
5-(hydroxymethyl)-1H-pyrazol-4-ol has a molecular weight of 114.10 g/mol, XLogP of -0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1H-pyrazol-4-ol is sourced from PubChem (CID 20557721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).