[3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol

C9H10N2O2 — CID 54851051

IUPAC[3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol
SMILESCc1[nH]nc(-c2ccco2)c1CO
InChIInChI=1S/C9H10N2O2/c1-6-7(5-12)9(11-10-6)8-3-2-4-13-8/h2-4,12H,5H2,1H3,(H,10,11)
InChIKeyPUFVUFYIMIJWSW-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.47
Rot. Bonds2

About [3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol

[3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol (PubChem CID 54851051) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is [3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol
PubChem CID54851051
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name[3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol
SMILESCc1[nH]nc(-c2ccco2)c1CO
InChIInChI=1S/C9H10N2O2/c1-6-7(5-12)9(11-10-6)8-3-2-4-13-8/h2-4,12H,5H2,1H3,(H,10,11)
InChIKeyPUFVUFYIMIJWSW-UHFFFAOYSA-N
XLogP1.47
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol?
The IUPAC name of [3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol (CID 54851051) is [3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol is Cc1[nH]nc(-c2ccco2)c1CO.
What is the InChIKey of [3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol?
The InChIKey is PUFVUFYIMIJWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6-7(5-12)9(11-10-6)8-3-2-4-13-8/h2-4,12H,5H2,1H3,(H,10,11).
What are the key properties of [3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol?
[3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol has a molecular weight of 178.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 54851051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).