[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone

C15H27N5O — CID 66120304

IUPAC[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCN(CC(C)CN)CC2)n(C)n1
InChIInChI=1S/C15H27N5O/c1-4-13-9-14(18(3)17-13)15(21)20-7-5-19(6-8-20)11-12(2)10-16/h9,12H,4-8,10-11,16H2,1-3H3
InChIKeyOXFPSTURNGJRCL-UHFFFAOYSA-N
MW293.42 g/mol
LogP0.34
Rot. Bonds5

About [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone

[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone (PubChem CID 66120304) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
PubChem CID66120304
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)N2CCN(CC(C)CN)CC2)n(C)n1
InChIInChI=1S/C15H27N5O/c1-4-13-9-14(18(3)17-13)15(21)20-7-5-19(6-8-20)11-12(2)10-16/h9,12H,4-8,10-11,16H2,1-3H3
InChIKeyOXFPSTURNGJRCL-UHFFFAOYSA-N
XLogP0.34
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129227
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
2-[4-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 46957153
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 79409981
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 43251972
[4-(2-aminoethyl)piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129011
[4-(bromomethyl)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 80678289
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-propyl-1,4-diazepan-5-one
CID 26320858
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 70721848
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104668901
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 114960250
[2-(aminomethyl)morpholin-4-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66121292

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The IUPAC name of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone (CID 66120304) is [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone is CCc1cc(C(=O)N2CCN(CC(C)CN)CC2)n(C)n1.
What is the InChIKey of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The InChIKey is OXFPSTURNGJRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-13-9-14(18(3)17-13)15(21)20-7-5-19(6-8-20)11-12(2)10-16/h9,12H,4-8,10-11,16H2,1-3H3.
What are the key properties of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone?
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone has a molecular weight of 293.42 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 66120304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).