[3-(1-adamantyl)-1H-pyrazol-5-yl]methanol

C14H20N2O — CID 11806543

IUPAC[3-(1-adamantyl)-1H-pyrazol-5-yl]methanol
SMILESOCc1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1
InChIInChI=1S/C14H20N2O/c17-8-12-4-13(16-15-12)14-5-9-1-10(6-14)3-11(2-9)7-14/h4,9-11,17H,1-3,5-8H2,(H,15,16)
InChIKeyPSBSTRRGNORRCZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.37
Rot. Bonds2

About [3-(1-adamantyl)-1H-pyrazol-5-yl]methanol

[3-(1-adamantyl)-1H-pyrazol-5-yl]methanol (PubChem CID 11806543) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [3-(1-adamantyl)-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(1-adamantyl)-1H-pyrazol-5-yl]methanol
PubChem CID11806543
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[3-(1-adamantyl)-1H-pyrazol-5-yl]methanol
SMILESOCc1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1
InChIInChI=1S/C14H20N2O/c17-8-12-4-13(16-15-12)14-5-9-1-10(6-14)3-11(2-9)7-14/h4,9-11,17H,1-3,5-8H2,(H,15,16)
InChIKeyPSBSTRRGNORRCZ-UHFFFAOYSA-N
XLogP2.37
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(1-adamantyl)-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-(1-adamantyl)-1H-pyrazol-5-yl]methanol (CID 11806543) is [3-(1-adamantyl)-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-(1-adamantyl)-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-(1-adamantyl)-1H-pyrazol-5-yl]methanol is OCc1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1.
What is the InChIKey of [3-(1-adamantyl)-1H-pyrazol-5-yl]methanol?
The InChIKey is PSBSTRRGNORRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-8-12-4-13(16-15-12)14-5-9-1-10(6-14)3-11(2-9)7-14/h4,9-11,17H,1-3,5-8H2,(H,15,16).
What are the key properties of [3-(1-adamantyl)-1H-pyrazol-5-yl]methanol?
[3-(1-adamantyl)-1H-pyrazol-5-yl]methanol has a molecular weight of 232.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-adamantyl)-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 11806543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).