[3-(hydroxymethyl)-1-methylpyrazol-5-yl]methanol

C6H10N2O2 — CID 84648737

IUPAC[3-(hydroxymethyl)-1-methylpyrazol-5-yl]methanol
SMILESCn1nc(CO)cc1CO
InChIInChI=1S/C6H10N2O2/c1-8-6(4-10)2-5(3-9)7-8/h2,9-10H,3-4H2,1H3
InChIKeyMJMFIVGJMUVKKJ-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.60
Rot. Bonds2

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

[3-(hydroxymethyl)-1-methylpyrazol-5-yl]methanol (PubChem CID 84648737) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is [3-(hydroxymethyl)-1-methylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-1-methylpyrazol-5-yl]methanol
PubChem CID84648737
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name[3-(hydroxymethyl)-1-methylpyrazol-5-yl]methanol
SMILESCn1nc(CO)cc1CO
InChIInChI=1S/C6H10N2O2/c1-8-6(4-10)2-5(3-9)7-8/h2,9-10H,3-4H2,1H3
InChIKeyMJMFIVGJMUVKKJ-UHFFFAOYSA-N
XLogP-0.60
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-1-methylpyrazol-5-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-1-methylpyrazol-5-yl]methanol (CID 84648737) is [3-(hydroxymethyl)-1-methylpyrazol-5-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-1-methylpyrazol-5-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-1-methylpyrazol-5-yl]methanol is Cn1nc(CO)cc1CO.
What is the InChIKey of [3-(hydroxymethyl)-1-methylpyrazol-5-yl]methanol?
The InChIKey is MJMFIVGJMUVKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-8-6(4-10)2-5(3-9)7-8/h2,9-10H,3-4H2,1H3.
What are the key properties of [3-(hydroxymethyl)-1-methylpyrazol-5-yl]methanol?
[3-(hydroxymethyl)-1-methylpyrazol-5-yl]methanol has a molecular weight of 142.16 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-1-methylpyrazol-5-yl]methanol is sourced from PubChem (CID 84648737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).