3-(1-adamantyl)-5-methyl-1H-pyrazole

C14H20N2 — CID 22496845

IUPAC3-(1-adamantyl)-5-methyl-1H-pyrazole
SMILESCc1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1
InChIInChI=1S/C14H20N2/c1-9-2-13(16-15-9)14-6-10-3-11(7-14)5-12(4-10)8-14/h2,10-12H,3-8H2,1H3,(H,15,16)
InChIKeyAREKAJBIACJDHC-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.19
Rot. Bonds1

About 3-(1-adamantyl)-5-methyl-1H-pyrazole

3-(1-adamantyl)-5-methyl-1H-pyrazole (PubChem CID 22496845) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-(1-adamantyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-(1-adamantyl)-5-methyl-1H-pyrazole
PubChem CID22496845
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-(1-adamantyl)-5-methyl-1H-pyrazole
SMILESCc1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1
InChIInChI=1S/C14H20N2/c1-9-2-13(16-15-9)14-6-10-3-11(7-14)5-12(4-10)8-14/h2,10-12H,3-8H2,1H3,(H,15,16)
InChIKeyAREKAJBIACJDHC-UHFFFAOYSA-N
XLogP3.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-5-methyl-1H-pyrazole?
The IUPAC name of 3-(1-adamantyl)-5-methyl-1H-pyrazole (CID 22496845) is 3-(1-adamantyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-(1-adamantyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 3-(1-adamantyl)-5-methyl-1H-pyrazole is Cc1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1.
What is the InChIKey of 3-(1-adamantyl)-5-methyl-1H-pyrazole?
The InChIKey is AREKAJBIACJDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-9-2-13(16-15-9)14-6-10-3-11(7-14)5-12(4-10)8-14/h2,10-12H,3-8H2,1H3,(H,15,16).
What are the key properties of 3-(1-adamantyl)-5-methyl-1H-pyrazole?
3-(1-adamantyl)-5-methyl-1H-pyrazole has a molecular weight of 216.33 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 22496845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).