5-(2-adamantyl)-4-ethyl-1H-pyrazol-3-amine

C15H23N3 — CID 81095315

IUPAC5-(2-adamantyl)-4-ethyl-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H23N3/c1-2-12-14(17-18-15(12)16)13-10-4-8-3-9(6-10)7-11(13)5-8/h8-11,13H,2-7H2,1H3,(H3,16,17,18)
InChIKeyLAJZVNJUPXPNKD-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.09
Rot. Bonds2

About 5-(2-adamantyl)-4-ethyl-1H-pyrazol-3-amine

5-(2-adamantyl)-4-ethyl-1H-pyrazol-3-amine (PubChem CID 81095315) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-(2-adamantyl)-4-ethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-adamantyl)-4-ethyl-1H-pyrazol-3-amine
PubChem CID81095315
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5-(2-adamantyl)-4-ethyl-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H23N3/c1-2-12-14(17-18-15(12)16)13-10-4-8-3-9(6-10)7-11(13)5-8/h8-11,13H,2-7H2,1H3,(H3,16,17,18)
InChIKeyLAJZVNJUPXPNKD-UHFFFAOYSA-N
XLogP3.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-adamantyl)-4-ethyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-adamantyl)-4-ethyl-1H-pyrazol-3-amine (CID 81095315) is 5-(2-adamantyl)-4-ethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-adamantyl)-4-ethyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-adamantyl)-4-ethyl-1H-pyrazol-3-amine is CCc1c(N)n[nH]c1C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 5-(2-adamantyl)-4-ethyl-1H-pyrazol-3-amine?
The InChIKey is LAJZVNJUPXPNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-12-14(17-18-15(12)16)13-10-4-8-3-9(6-10)7-11(13)5-8/h8-11,13H,2-7H2,1H3,(H3,16,17,18).
What are the key properties of 5-(2-adamantyl)-4-ethyl-1H-pyrazol-3-amine?
5-(2-adamantyl)-4-ethyl-1H-pyrazol-3-amine has a molecular weight of 245.37 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-adamantyl)-4-ethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 81095315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).