[4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone

C13H23N5O — CID 63340822

IUPAC[4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCCCC(CN)N1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C13H23N5O/c1-2-3-11(10-14)17-6-8-18(9-7-17)13(19)12-4-5-15-16-12/h4-5,11H,2-3,6-10,14H2,1H3,(H,15,16)
InChIKeyLVDYBZXYISFJED-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.29
Rot. Bonds5

About [4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone

[4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 63340822) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID63340822
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name[4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCCCC(CN)N1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C13H23N5O/c1-2-3-11(10-14)17-6-8-18(9-7-17)13(19)12-4-5-15-16-12/h4-5,11H,2-3,6-10,14H2,1H3,(H,15,16)
InChIKeyLVDYBZXYISFJED-UHFFFAOYSA-N
XLogP0.29
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62317788
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81439177
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 63340905
1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 166600812
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 119645537
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 55219660
[4-(4-methylphenyl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 171622128
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 119544034
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 120808347
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 63341209
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 63340947

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 63340822) is [4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone is CCCC(CN)N1CCN(C(=O)c2ccn[nH]2)CC1.
What is the InChIKey of [4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is LVDYBZXYISFJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-3-11(10-14)17-6-8-18(9-7-17)13(19)12-4-5-15-16-12/h4-5,11H,2-3,6-10,14H2,1H3,(H,15,16).
What are the key properties of [4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone?
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminopentan-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 63340822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).