N-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide

C15H22N4O — CID 67481788

IUPACN-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC23CC4CC(CC(N)(C4)C2)C3)n1
InChIInChI=1S/C15H22N4O/c1-19-3-2-12(18-19)13(20)17-15-7-10-4-11(8-15)6-14(16,5-10)9-15/h2-3,10-11H,4-9,16H2,1H3,(H,17,20)
InChIKeyZCPMDPZYRFOWFS-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.20
Rot. Bonds2

About N-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide

N-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide (PubChem CID 67481788) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide
PubChem CID67481788
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC23CC4CC(CC(N)(C4)C2)C3)n1
InChIInChI=1S/C15H22N4O/c1-19-3-2-12(18-19)13(20)17-15-7-10-4-11(8-15)6-14(16,5-10)9-15/h2-3,10-11H,4-9,16H2,1H3,(H,17,20)
InChIKeyZCPMDPZYRFOWFS-UHFFFAOYSA-N
XLogP1.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide (CID 67481788) is N-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC23CC4CC(CC(N)(C4)C2)C3)n1.
What is the InChIKey of N-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is ZCPMDPZYRFOWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-19-3-2-12(18-19)13(20)17-15-7-10-4-11(8-15)6-14(16,5-10)9-15/h2-3,10-11H,4-9,16H2,1H3,(H,17,20).
What are the key properties of N-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide?
N-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1-adamantyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 67481788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).