4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-carboxamide

C21H32N4O2 — CID 58202113

IUPAC4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-carboxamide
SMILESCCN(CC)c1cc(C(=O)CC2C3CC4CC2CC(C(N)=O)(C4)C3)nn1C
InChIInChI=1S/C21H32N4O2/c1-4-25(5-2)19-9-17(23-24(19)3)18(26)8-16-14-6-13-7-15(16)12-21(10-13,11-14)20(22)27/h9,13-16H,4-8,10-12H2,1-3H3,(H2,22,27)
InChIKeyCTOLBFPKPMACTK-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.77
Rot. Bonds7

About 4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-carboxamide

4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 58202113) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID58202113
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-carboxamide
SMILESCCN(CC)c1cc(C(=O)CC2C3CC4CC2CC(C(N)=O)(C4)C3)nn1C
InChIInChI=1S/C21H32N4O2/c1-4-25(5-2)19-9-17(23-24(19)3)18(26)8-16-14-6-13-7-15(16)12-21(10-13,11-14)20(22)27/h9,13-16H,4-8,10-12H2,1-3H3,(H2,22,27)
InChIKeyCTOLBFPKPMACTK-UHFFFAOYSA-N
XLogP2.77
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-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 4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of 4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-carboxamide (CID 58202113) is 4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for 4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for 4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-carboxamide is CCN(CC)c1cc(C(=O)CC2C3CC4CC2CC(C(N)=O)(C4)C3)nn1C.
What is the InChIKey of 4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is CTOLBFPKPMACTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-4-25(5-2)19-9-17(23-24(19)3)18(26)8-16-14-6-13-7-15(16)12-21(10-13,11-14)20(22)27/h9,13-16H,4-8,10-12H2,1-3H3,(H2,22,27).
What are the key properties of 4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-carboxamide?
4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(diethylamino)-1-methylpyrazol-3-yl]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 58202113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).