N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide

C20H25N3OS — CID 122265113

IUPACN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide
SMILESO=C(NCC(c1cccs1)n1cccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25N3OS/c24-19(20-10-14-7-15(11-20)9-16(8-14)12-20)21-13-17(18-3-1-6-25-18)23-5-2-4-22-23/h1-6,14-17H,7-13H2,(H,21,24)
InChIKeyMUMRWBMMMVFJPK-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.87
Rot. Bonds5

About N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide

N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide (PubChem CID 122265113) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide
PubChem CID122265113
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide
SMILESO=C(NCC(c1cccs1)n1cccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25N3OS/c24-19(20-10-14-7-15(11-20)9-16(8-14)12-20)21-13-17(18-3-1-6-25-18)23-5-2-4-22-23/h1-6,14-17H,7-13H2,(H,21,24)
InChIKeyMUMRWBMMMVFJPK-UHFFFAOYSA-N
XLogP3.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)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

Related Compounds

N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 17014187
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]adamantane-1-carboxamide
CID 17012416
methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide
CID 4807610
2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide
CID 119102036
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 122265193
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265055
3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
CID 122265128
N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 38705329

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide (CID 122265113) is N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide is O=C(NCC(c1cccs1)n1cccn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide?
The InChIKey is MUMRWBMMMVFJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c24-19(20-10-14-7-15(11-20)9-16(8-14)12-20)21-13-17(18-3-1-6-25-18)23-5-2-4-22-23/h1-6,14-17H,7-13H2,(H,21,24).
What are the key properties of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide?
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide has a molecular weight of 355.51 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide is sourced from PubChem (CID 122265113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).