[4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone

C21H32N4O — CID 56886117

IUPAC[4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1C
InChIInChI=1S/C21H32N4O/c1-3-18-14(2)19(23-22-18)20(26)24-4-6-25(7-5-24)21-11-15-8-16(12-21)10-17(9-15)13-21/h15-17H,3-13H2,1-2H3,(H,22,23)
InChIKeyYWWJGUBLMHIRQB-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.01
Rot. Bonds3

About [4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone

[4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 56886117) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is [4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
PubChem CID56886117
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name[4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1C
InChIInChI=1S/C21H32N4O/c1-3-18-14(2)19(23-22-18)20(26)24-4-6-25(7-5-24)21-11-15-8-16(12-21)10-17(9-15)13-21/h15-17H,3-13H2,1-2H3,(H,22,23)
InChIKeyYWWJGUBLMHIRQB-UHFFFAOYSA-N
XLogP3.01
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
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[4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
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(4-amino-5-ethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
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(4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone
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[4-(1-adamantyl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
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(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3S,5R,9R)-9-hydroxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 155996778
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
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1-[4-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 62075601
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(3S,4R)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone (CID 56886117) is [4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone is CCc1[nH]nc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1C.
What is the InChIKey of [4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is YWWJGUBLMHIRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-3-18-14(2)19(23-22-18)20(26)24-4-6-25(7-5-24)21-11-15-8-16(12-21)10-17(9-15)13-21/h15-17H,3-13H2,1-2H3,(H,22,23).
What are the key properties of [4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone?
[4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 356.51 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 56886117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).