5-(oxan-2-yl)-1H-pyrazol-4-ol

C8H12N2O2 — CID 105433766

IUPAC5-(oxan-2-yl)-1H-pyrazol-4-ol
SMILESOc1cn[nH]c1C1CCCCO1
InChIInChI=1S/C8H12N2O2/c11-6-5-9-10-8(6)7-3-1-2-4-12-7/h5,7,11H,1-4H2,(H,9,10)
InChIKeyMLFKWAUJZFLQSR-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.36
Rot. Bonds1

About 5-(oxan-2-yl)-1H-pyrazol-4-ol

5-(oxan-2-yl)-1H-pyrazol-4-ol (PubChem CID 105433766) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-(oxan-2-yl)-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-(oxan-2-yl)-1H-pyrazol-4-ol
PubChem CID105433766
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-(oxan-2-yl)-1H-pyrazol-4-ol
SMILESOc1cn[nH]c1C1CCCCO1
InChIInChI=1S/C8H12N2O2/c11-6-5-9-10-8(6)7-3-1-2-4-12-7/h5,7,11H,1-4H2,(H,9,10)
InChIKeyMLFKWAUJZFLQSR-UHFFFAOYSA-N
XLogP1.36
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-[(2S)-oxan-2-yl]-1H-pyrazole
CID 138634686
4-bromo-5-(oxan-2-yl)-1H-pyrazole
CID 68654841
5-(oxolan-2-yl)-1H-pyrazol-4-amine
CID 130577682
5-(oxan-2-yl)-1H-1,2,4-triazole
CID 91376030
2-[(2R)-oxan-2-yl]phenol
CID 92978074
5-(oxan-2-yl)-1H-pyrimidin-6-one
CID 3073823
2-bromo-5-(oxolan-2-yl)-1H-imidazole
CID 115029847
2-(oxan-2-yl)pyrimidin-5-amine
CID 126971971
N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(oxan-2-yl)-1H-pyrazole-4-carboxamide
CID 171539850
4-[[3-(2-hydroxyphenyl)-5-(oxan-2-yl)-1H-pyrazol-4-yl]oxy]benzonitrile
CID 137171904
[(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone
CID 138024962
5-(oxan-2-yl)pyridine-3-carboxylic acid
CID 115025090

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-yl)-1H-pyrazol-4-ol?
The IUPAC name of 5-(oxan-2-yl)-1H-pyrazol-4-ol (CID 105433766) is 5-(oxan-2-yl)-1H-pyrazol-4-ol.
What is the SMILES notation for 5-(oxan-2-yl)-1H-pyrazol-4-ol?
The canonical SMILES for 5-(oxan-2-yl)-1H-pyrazol-4-ol is Oc1cn[nH]c1C1CCCCO1.
What is the InChIKey of 5-(oxan-2-yl)-1H-pyrazol-4-ol?
The InChIKey is MLFKWAUJZFLQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-6-5-9-10-8(6)7-3-1-2-4-12-7/h5,7,11H,1-4H2,(H,9,10).
What are the key properties of 5-(oxan-2-yl)-1H-pyrazol-4-ol?
5-(oxan-2-yl)-1H-pyrazol-4-ol has a molecular weight of 168.20 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yl)-1H-pyrazol-4-ol is sourced from PubChem (CID 105433766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).