N-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide

C21H25N3O — CID 35577295

IUPACN-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H25N3O/c25-20(21-11-16-8-17(12-21)10-18(9-16)13-21)23-19-6-7-22-24(19)14-15-4-2-1-3-5-15/h1-7,16-18H,8-14H2,(H,23,25)
InChIKeyMQBOWRHACVPLHI-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.09
Rot. Bonds4

About N-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide

N-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide (PubChem CID 35577295) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide
PubChem CID35577295
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H25N3O/c25-20(21-11-16-8-17(12-21)10-18(9-16)13-21)23-19-6-7-22-24(19)14-15-4-2-1-3-5-15/h1-7,16-18H,8-14H2,(H,23,25)
InChIKeyMQBOWRHACVPLHI-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-benzylpyrazol-3-yl)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-[3-[[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 86894062
N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)adamantane-1-carboxamide
CID 3110684
N-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 118726195
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
(E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide
CID 7589756
N-(2-benzylpyrazol-3-yl)-2-iodobenzamide
CID 55359617
N-(2-benzylpyrazol-3-yl)-4-iodobenzamide
CID 55359598
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 24525234
N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide
CID 9118345
N-(2-benzylpyrazol-3-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55631067
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
cis-(1R,2S)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-methylcyclopropane-1-carboxamide
CID 40972650

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide (CID 35577295) is N-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide is O=C(Nc1ccnn1Cc1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide?
The InChIKey is MQBOWRHACVPLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-20(21-11-16-8-17(12-21)10-18(9-16)13-21)23-19-6-7-22-24(19)14-15-4-2-1-3-5-15/h1-7,16-18H,8-14H2,(H,23,25).
What are the key properties of N-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide?
N-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)adamantane-1-carboxamide is sourced from PubChem (CID 35577295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).