1-adamantyl-(2-methylpyrazol-3-yl)methanol

C15H22N2O — CID 63962636

IUPAC1-adamantyl-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22N2O/c1-17-13(2-3-16-17)14(18)15-7-10-4-11(8-15)6-12(5-10)9-15/h2-3,10-12,14,18H,4-9H2,1H3
InChIKeyLVPKFSSLNPSSEY-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.67
Rot. Bonds2

About 1-adamantyl-(2-methylpyrazol-3-yl)methanol

1-adamantyl-(2-methylpyrazol-3-yl)methanol (PubChem CID 63962636) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-adamantyl-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name1-adamantyl-(2-methylpyrazol-3-yl)methanol
PubChem CID63962636
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-adamantyl-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22N2O/c1-17-13(2-3-16-17)14(18)15-7-10-4-11(8-15)6-12(5-10)9-15/h2-3,10-12,14,18H,4-9H2,1H3
InChIKeyLVPKFSSLNPSSEY-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of 1-adamantyl-(2-methylpyrazol-3-yl)methanol (CID 63962636) is 1-adamantyl-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for 1-adamantyl-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for 1-adamantyl-(2-methylpyrazol-3-yl)methanol is Cn1nccc1C(O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(2-methylpyrazol-3-yl)methanol?
The InChIKey is LVPKFSSLNPSSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-13(2-3-16-17)14(18)15-7-10-4-11(8-15)6-12(5-10)9-15/h2-3,10-12,14,18H,4-9H2,1H3.
What are the key properties of 1-adamantyl-(2-methylpyrazol-3-yl)methanol?
1-adamantyl-(2-methylpyrazol-3-yl)methanol has a molecular weight of 246.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 63962636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).