5-(1-adamantyl)-N-ethyl-1H-pyrazol-3-amine

C15H23N3 — CID 63531451

IUPAC5-(1-adamantyl)-N-ethyl-1H-pyrazol-3-amine
SMILESCCNc1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1
InChIInChI=1S/C15H23N3/c1-2-16-14-6-13(17-18-14)15-7-10-3-11(8-15)5-12(4-10)9-15/h6,10-12H,2-5,7-9H2,1H3,(H2,16,17,18)
InChIKeySFZHCIOABBODSC-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.31
Rot. Bonds3

About 5-(1-adamantyl)-N-ethyl-1H-pyrazol-3-amine

5-(1-adamantyl)-N-ethyl-1H-pyrazol-3-amine (PubChem CID 63531451) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-(1-adamantyl)-N-ethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-adamantyl)-N-ethyl-1H-pyrazol-3-amine
PubChem CID63531451
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5-(1-adamantyl)-N-ethyl-1H-pyrazol-3-amine
SMILESCCNc1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1
InChIInChI=1S/C15H23N3/c1-2-16-14-6-13(17-18-14)15-7-10-3-11(8-15)5-12(4-10)9-15/h6,10-12H,2-5,7-9H2,1H3,(H2,16,17,18)
InChIKeySFZHCIOABBODSC-UHFFFAOYSA-N
XLogP3.31
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyl)-N-ethyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-adamantyl)-N-ethyl-1H-pyrazol-3-amine (CID 63531451) is 5-(1-adamantyl)-N-ethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-adamantyl)-N-ethyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-adamantyl)-N-ethyl-1H-pyrazol-3-amine is CCNc1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1.
What is the InChIKey of 5-(1-adamantyl)-N-ethyl-1H-pyrazol-3-amine?
The InChIKey is SFZHCIOABBODSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-16-14-6-13(17-18-14)15-7-10-3-11(8-15)5-12(4-10)9-15/h6,10-12H,2-5,7-9H2,1H3,(H2,16,17,18).
What are the key properties of 5-(1-adamantyl)-N-ethyl-1H-pyrazol-3-amine?
5-(1-adamantyl)-N-ethyl-1H-pyrazol-3-amine has a molecular weight of 245.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-N-ethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63531451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).