piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C11H18N4O — CID 82509447

IUPACpiperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCNCC2)n[nH]1
InChIInChI=1S/C11H18N4O/c1-8(2)9-7-10(14-13-9)11(16)15-5-3-12-4-6-15/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyYIZZYCSYFQLQCE-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.58
Rot. Bonds2

About piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 82509447) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID82509447
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Namepiperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCNCC2)n[nH]1
InChIInChI=1S/C11H18N4O/c1-8(2)9-7-10(14-13-9)11(16)15-5-3-12-4-6-15/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyYIZZYCSYFQLQCE-UHFFFAOYSA-N
XLogP0.58
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 60509226
(3-fluorophenyl)-[4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 60506705
3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 166520449
[3-(hydroxymethyl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110900803
[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 24811530
(2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 124681565
(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110244899
1-propan-2-yl-3-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]urea
CID 121271213
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 120878312
1-methyl-N-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 121279422
[2-(3-chlorophenyl)piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 120802596
(4-methylthiophen-2-yl)-[3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone
CID 167524597

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 82509447) is piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCNCC2)n[nH]1.
What is the InChIKey of piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is YIZZYCSYFQLQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(2)9-7-10(14-13-9)11(16)15-5-3-12-4-6-15/h7-8,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 82509447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).