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

C7H8N4O2 — CID 136817942

IUPAC[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCc1[nH]ncc1-c1nc(CO)no1
InChIInChI=1S/C7H8N4O2/c1-4-5(2-8-10-4)7-9-6(3-12)11-13-7/h2,12H,3H2,1H3,(H,8,10)
InChIKeyFQRHDSFFKJHWQC-UHFFFAOYSA-N
MW180.17 g/mol
LogP0.26
Rot. Bonds2

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

[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 136817942) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is [5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID136817942
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCc1[nH]ncc1-c1nc(CO)no1
InChIInChI=1S/C7H8N4O2/c1-4-5(2-8-10-4)7-9-6(3-12)11-13-7/h2,12H,3H2,1H3,(H,8,10)
InChIKeyFQRHDSFFKJHWQC-UHFFFAOYSA-N
XLogP0.26
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol (CID 136817942) is [5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol is Cc1[nH]ncc1-c1nc(CO)no1.
What is the InChIKey of [5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is FQRHDSFFKJHWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-4-5(2-8-10-4)7-9-6(3-12)11-13-7/h2,12H,3H2,1H3,(H,8,10).
What are the key properties of [5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 180.17 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 136817942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).