2-(1-adamantyl)-5-methylpyrazol-3-amine

C14H21N3 — CID 13164494

IUPAC2-(1-adamantyl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C14H21N3/c1-9-2-13(15)17(16-9)14-6-10-3-11(7-14)5-12(4-10)8-14/h2,10-12H,3-8,15H2,1H3
InChIKeyOPAQENLUSCWXQT-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.70
Rot. Bonds1

About 2-(1-adamantyl)-5-methylpyrazol-3-amine

2-(1-adamantyl)-5-methylpyrazol-3-amine (PubChem CID 13164494) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-(1-adamantyl)-5-methylpyrazol-3-amine
PubChem CID13164494
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(1-adamantyl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C14H21N3/c1-9-2-13(15)17(16-9)14-6-10-3-11(7-14)5-12(4-10)8-14/h2,10-12H,3-8,15H2,1H3
InChIKeyOPAQENLUSCWXQT-UHFFFAOYSA-N
XLogP2.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-5-methylpyrazol-3-amine?
The IUPAC name of 2-(1-adamantyl)-5-methylpyrazol-3-amine (CID 13164494) is 2-(1-adamantyl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-(1-adamantyl)-5-methylpyrazol-3-amine?
The canonical SMILES for 2-(1-adamantyl)-5-methylpyrazol-3-amine is Cc1cc(N)n(C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 2-(1-adamantyl)-5-methylpyrazol-3-amine?
The InChIKey is OPAQENLUSCWXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-9-2-13(15)17(16-9)14-6-10-3-11(7-14)5-12(4-10)8-14/h2,10-12H,3-8,15H2,1H3.
What are the key properties of 2-(1-adamantyl)-5-methylpyrazol-3-amine?
2-(1-adamantyl)-5-methylpyrazol-3-amine has a molecular weight of 231.34 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 13164494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).