N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide

C18H27N3O — CID 17168155

IUPACN-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide
SMILESCCC(NC(=O)c1ccnn1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27N3O/c1-3-16(20-17(22)15-4-5-19-21(15)2)18-9-12-6-13(10-18)8-14(7-12)11-18/h4-5,12-14,16H,3,6-11H2,1-2H3,(H,20,22)
InChIKeyHBUFJZGUGSDTFC-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.14
Rot. Bonds4

About N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide

N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide (PubChem CID 17168155) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide
PubChem CID17168155
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide
SMILESCCC(NC(=O)c1ccnn1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27N3O/c1-3-16(20-17(22)15-4-5-19-21(15)2)18-9-12-6-13(10-18)8-14(7-12)11-18/h4-5,12-14,16H,3,6-11H2,1-2H3,(H,20,22)
InChIKeyHBUFJZGUGSDTFC-UHFFFAOYSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide (CID 17168155) is N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide is CCC(NC(=O)c1ccnn1C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is HBUFJZGUGSDTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-16(20-17(22)15-4-5-19-21(15)2)18-9-12-6-13(10-18)8-14(7-12)11-18/h4-5,12-14,16H,3,6-11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide?
N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 17168155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).