[5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol

C9H14N2O2 — CID 121212017

IUPAC[5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol
SMILESOCc1cn[nH]c1C1CCOCC1
InChIInChI=1S/C9H14N2O2/c12-6-8-5-10-11-9(8)7-1-3-13-4-2-7/h5,7,12H,1-4,6H2,(H,10,11)
InChIKeyRNIXLVYTDBVCKN-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.80
Rot. Bonds2

About [5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol

[5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol (PubChem CID 121212017) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is [5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol
PubChem CID121212017
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name[5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol
SMILESOCc1cn[nH]c1C1CCOCC1
InChIInChI=1S/C9H14N2O2/c12-6-8-5-10-11-9(8)7-1-3-13-4-2-7/h5,7,12H,1-4,6H2,(H,10,11)
InChIKeyRNIXLVYTDBVCKN-UHFFFAOYSA-N
XLogP0.80
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-(oxan-4-yl)-1H-pyrazole
CID 83711956
methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate
CID 121212036
1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone
CID 105448069
4-methyl-5-(oxan-4-yl)-1H-pyrazole
CID 144872646
5-(oxan-4-yl)-1H-pyrazole-4-carbaldehyde
CID 82409142
1-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylmethanamine
CID 105432804
N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 128970509
5-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 154158234
[5-(thian-4-yl)-1H-pyrazol-4-yl]methanamine
CID 105451048
3-(5-cyclopentyl-1H-pyrazol-4-yl)propanamide
CID 121212041
[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol
CID 121213089
N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(oxan-4-ylmethyl)propanamide
CID 145047840

Frequently Asked Questions

What is the IUPAC name of [5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol?
The IUPAC name of [5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol (CID 121212017) is [5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol is OCc1cn[nH]c1C1CCOCC1.
What is the InChIKey of [5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol?
The InChIKey is RNIXLVYTDBVCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-6-8-5-10-11-9(8)7-1-3-13-4-2-7/h5,7,12H,1-4,6H2,(H,10,11).
What are the key properties of [5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol?
[5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol has a molecular weight of 182.22 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 121212017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).