2-(1-adamantyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide

C19H29N3O — CID 4113353

IUPAC2-(1-adamantyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
SMILESCCn1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)n1
InChIInChI=1S/C19H29N3O/c1-3-22-12-17(13(2)21-22)11-20-18(23)10-19-7-14-4-15(8-19)6-16(5-14)9-19/h12,14-16H,3-11H2,1-2H3,(H,20,23)
InChIKeyDQPHIPVPGAGJFP-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.43
Rot. Bonds5

About 2-(1-adamantyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide

2-(1-adamantyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 4113353) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
PubChem CID4113353
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-(1-adamantyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
SMILESCCn1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)n1
InChIInChI=1S/C19H29N3O/c1-3-22-12-17(13(2)21-22)11-20-18(23)10-19-7-14-4-15(8-19)6-16(5-14)9-19/h12,14-16H,3-11H2,1-2H3,(H,20,23)
InChIKeyDQPHIPVPGAGJFP-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-adamantyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide 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 2-(1-adamantyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide (CID 4113353) is 2-(1-adamantyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide is CCn1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)n1.
What is the InChIKey of 2-(1-adamantyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is DQPHIPVPGAGJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-22-12-17(13(2)21-22)11-20-18(23)10-19-7-14-4-15(8-19)6-16(5-14)9-19/h12,14-16H,3-11H2,1-2H3,(H,20,23).
What are the key properties of 2-(1-adamantyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide?
2-(1-adamantyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 315.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 4113353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).