1-[4-(hydroxymethyl)-1H-pyrazol-5-yl]ethanol

C6H10N2O2 — CID 69096008

IUPAC1-[4-(hydroxymethyl)-1H-pyrazol-5-yl]ethanol
SMILESCC(O)c1[nH]ncc1CO
InChIInChI=1S/C6H10N2O2/c1-4(10)6-5(3-9)2-7-8-6/h2,4,9-10H,3H2,1H3,(H,7,8)
InChIKeyYPMVIVBVBCHVNI-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.04
Rot. Bonds2

About 1-[4-(hydroxymethyl)-1H-pyrazol-5-yl]ethanol

1-[4-(hydroxymethyl)-1H-pyrazol-5-yl]ethanol (PubChem CID 69096008) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-1H-pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-1H-pyrazol-5-yl]ethanol
PubChem CID69096008
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name1-[4-(hydroxymethyl)-1H-pyrazol-5-yl]ethanol
SMILESCC(O)c1[nH]ncc1CO
InChIInChI=1S/C6H10N2O2/c1-4(10)6-5(3-9)2-7-8-6/h2,4,9-10H,3H2,1H3,(H,7,8)
InChIKeyYPMVIVBVBCHVNI-UHFFFAOYSA-N
XLogP-0.04
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-1H-pyrazol-5-yl]ethanol?
The IUPAC name of 1-[4-(hydroxymethyl)-1H-pyrazol-5-yl]ethanol (CID 69096008) is 1-[4-(hydroxymethyl)-1H-pyrazol-5-yl]ethanol.
What is the SMILES notation for 1-[4-(hydroxymethyl)-1H-pyrazol-5-yl]ethanol?
The canonical SMILES for 1-[4-(hydroxymethyl)-1H-pyrazol-5-yl]ethanol is CC(O)c1[nH]ncc1CO.
What is the InChIKey of 1-[4-(hydroxymethyl)-1H-pyrazol-5-yl]ethanol?
The InChIKey is YPMVIVBVBCHVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4(10)6-5(3-9)2-7-8-6/h2,4,9-10H,3H2,1H3,(H,7,8).
What are the key properties of 1-[4-(hydroxymethyl)-1H-pyrazol-5-yl]ethanol?
1-[4-(hydroxymethyl)-1H-pyrazol-5-yl]ethanol has a molecular weight of 142.16 g/mol, XLogP of -0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-1H-pyrazol-5-yl]ethanol is sourced from PubChem (CID 69096008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).