N-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide

C19H30N4O — CID 124751289

IUPACN-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide
SMILESCC[C@@H](NC(=O)Cn1nc(C)cc1N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H30N4O/c1-3-16(21-18(24)11-23-17(20)4-12(2)22-23)19-8-13-5-14(9-19)7-15(6-13)10-19/h4,13-16H,3,5-11,20H2,1-2H3,(H,21,24)/t13?,14?,15?,16-,19?/m1/s1
InChIKeyGDGDVJMOFMAQBO-LZUXJJCOSA-N
MW330.48 g/mol
LogP2.88
Rot. Bonds5

About N-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide

N-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide (PubChem CID 124751289) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide
PubChem CID124751289
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide
SMILESCC[C@@H](NC(=O)Cn1nc(C)cc1N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H30N4O/c1-3-16(21-18(24)11-23-17(20)4-12(2)22-23)19-8-13-5-14(9-19)7-15(6-13)10-19/h4,13-16H,3,5-11,20H2,1-2H3,(H,21,24)/t13?,14?,15?,16-,19?/m1/s1
InChIKeyGDGDVJMOFMAQBO-LZUXJJCOSA-N
XLogP2.88
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide (CID 124751289) is N-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide is CC[C@@H](NC(=O)Cn1nc(C)cc1N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide?
The InChIKey is GDGDVJMOFMAQBO-LZUXJJCOSA-N. The full InChI is InChI=1S/C19H30N4O/c1-3-16(21-18(24)11-23-17(20)4-12(2)22-23)19-8-13-5-14(9-19)7-15(6-13)10-19/h4,13-16H,3,5-11,20H2,1-2H3,(H,21,24)/t13?,14?,15?,16-,19?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide?
N-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide has a molecular weight of 330.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)propyl]-2-(5-amino-3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 124751289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).