N-(1-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide

C18H27N3O — CID 19569931

IUPACN-(1-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27N3O/c1-13-2-4-20-21(13)5-3-17(22)19-12-18-9-14-6-15(10-18)8-16(7-14)11-18/h2,4,14-16H,3,5-12H2,1H3,(H,19,22)
InChIKeyUBEWSLUZNAEQQI-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.91
Rot. Bonds5

About N-(1-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide

N-(1-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide (PubChem CID 19569931) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide
PubChem CID19569931
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-(1-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27N3O/c1-13-2-4-20-21(13)5-3-17(22)19-12-18-9-14-6-15(10-18)8-16(7-14)11-18/h2,4,14-16H,3,5-12H2,1H3,(H,19,22)
InChIKeyUBEWSLUZNAEQQI-UHFFFAOYSA-N
XLogP2.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide 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-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(1-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide (CID 19569931) is N-(1-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide is Cc1ccnn1CCC(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is UBEWSLUZNAEQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-13-2-4-20-21(13)5-3-17(22)19-12-18-9-14-6-15(10-18)8-16(7-14)11-18/h2,4,14-16H,3,5-12H2,1H3,(H,19,22).
What are the key properties of N-(1-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide?
N-(1-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 301.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19569931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).