[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol

C12H20N2O2 — CID 121213089

IUPAC[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol
SMILESCC(C)c1n[nH]c(C2CCOCC2)c1CO
InChIInChI=1S/C12H20N2O2/c1-8(2)11-10(7-15)12(14-13-11)9-3-5-16-6-4-9/h8-9,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyGTPZDNVMGLMINY-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.92
Rot. Bonds3

About [5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol

[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol (PubChem CID 121213089) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is [5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol
PubChem CID121213089
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol
SMILESCC(C)c1n[nH]c(C2CCOCC2)c1CO
InChIInChI=1S/C12H20N2O2/c1-8(2)11-10(7-15)12(14-13-11)9-3-5-16-6-4-9/h8-9,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyGTPZDNVMGLMINY-UHFFFAOYSA-N
XLogP1.92
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol?
The IUPAC name of [5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol (CID 121213089) is [5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol is CC(C)c1n[nH]c(C2CCOCC2)c1CO.
What is the InChIKey of [5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol?
The InChIKey is GTPZDNVMGLMINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)11-10(7-15)12(14-13-11)9-3-5-16-6-4-9/h8-9,15H,3-7H2,1-2H3,(H,13,14).
What are the key properties of [5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol?
[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol has a molecular weight of 224.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 121213089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).