1-(1-adamantyl)-4-methylpyrazole

C14H20N2 — CID 142764574

IUPAC1-(1-adamantyl)-4-methylpyrazole
SMILESCc1cnn(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C14H20N2/c1-10-8-15-16(9-10)14-5-11-2-12(6-14)4-13(3-11)7-14/h8-9,11-13H,2-7H2,1H3
InChIKeyCSWQVLVLUOEUFW-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.12
Rot. Bonds1

About 1-(1-adamantyl)-4-methylpyrazole

1-(1-adamantyl)-4-methylpyrazole (PubChem CID 142764574) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-(1-adamantyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(1-adamantyl)-4-methylpyrazole
PubChem CID142764574
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-(1-adamantyl)-4-methylpyrazole
SMILESCc1cnn(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C14H20N2/c1-10-8-15-16(9-10)14-5-11-2-12(6-14)4-13(3-11)7-14/h8-9,11-13H,2-7H2,1H3
InChIKeyCSWQVLVLUOEUFW-UHFFFAOYSA-N
XLogP3.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-4-methylpyrazole?
The IUPAC name of 1-(1-adamantyl)-4-methylpyrazole (CID 142764574) is 1-(1-adamantyl)-4-methylpyrazole.
What is the SMILES notation for 1-(1-adamantyl)-4-methylpyrazole?
The canonical SMILES for 1-(1-adamantyl)-4-methylpyrazole is Cc1cnn(C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 1-(1-adamantyl)-4-methylpyrazole?
The InChIKey is CSWQVLVLUOEUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-8-15-16(9-10)14-5-11-2-12(6-14)4-13(3-11)7-14/h8-9,11-13H,2-7H2,1H3.
What are the key properties of 1-(1-adamantyl)-4-methylpyrazole?
1-(1-adamantyl)-4-methylpyrazole has a molecular weight of 216.33 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-4-methylpyrazole is sourced from PubChem (CID 142764574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).