N-[(2-hydroxy-2-adamantyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide

C18H27N3O2 — CID 91791894

IUPACN-[(2-hydroxy-2-adamantyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCC2(O)C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C18H27N3O2/c1-12-2-4-21(20-12)5-3-17(22)19-11-18(23)15-7-13-6-14(9-15)10-16(18)8-13/h2,4,13-16,23H,3,5-11H2,1H3,(H,19,22)
InChIKeyMLGZWNYBANMXIC-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.89
Rot. Bonds5

About N-[(2-hydroxy-2-adamantyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide

N-[(2-hydroxy-2-adamantyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 91791894) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(2-hydroxy-2-adamantyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2-hydroxy-2-adamantyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID91791894
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(2-hydroxy-2-adamantyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCC2(O)C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C18H27N3O2/c1-12-2-4-21(20-12)5-3-17(22)19-11-18(23)15-7-13-6-14(9-15)10-16(18)8-13/h2,4,13-16,23H,3,5-11H2,1H3,(H,19,22)
InChIKeyMLGZWNYBANMXIC-UHFFFAOYSA-N
XLogP1.89
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-hydroxy-2-adamantyl)methyl]-3-(3-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-[(2-hydroxy-2-adamantyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(2-hydroxy-2-adamantyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide (CID 91791894) is N-[(2-hydroxy-2-adamantyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(2-hydroxy-2-adamantyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(2-hydroxy-2-adamantyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)NCC2(O)C3CC4CC(C3)CC2C4)n1.
What is the InChIKey of N-[(2-hydroxy-2-adamantyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is MLGZWNYBANMXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-2-4-21(20-12)5-3-17(22)19-11-18(23)15-7-13-6-14(9-15)10-16(18)8-13/h2,4,13-16,23H,3,5-11H2,1H3,(H,19,22).
What are the key properties of N-[(2-hydroxy-2-adamantyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[(2-hydroxy-2-adamantyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 317.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-2-adamantyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 91791894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).