[4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone

C13H23N5O — CID 63085261

IUPAC[4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCCC(CCN)N1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C13H23N5O/c1-2-12(3-4-14)17-5-7-18(8-6-17)13(19)11-9-15-16-10-11/h9-10,12H,2-8,14H2,1H3,(H,15,16)
InChIKeyCWKOEDHEXGIICQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.29
Rot. Bonds5

About [4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone

[4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 63085261) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID63085261
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name[4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCCC(CCN)N1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C13H23N5O/c1-2-12(3-4-14)17-5-7-18(8-6-17)13(19)11-9-15-16-10-11/h9-10,12H,2-8,14H2,1H3,(H,15,16)
InChIKeyCWKOEDHEXGIICQ-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

[4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 55201582
[4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 102921173
2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]butanethioamide
CID 63340326
N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide
CID 77012746
[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-phenylmethanone
CID 43252177
(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582709
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
CID 43367590
[4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 124608051
ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate
CID 43252483
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63595151
1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60786982

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 63085261) is [4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone is CCC(CCN)N1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of [4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is CWKOEDHEXGIICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-12(3-4-14)17-5-7-18(8-6-17)13(19)11-9-15-16-10-11/h9-10,12H,2-8,14H2,1H3,(H,15,16).
What are the key properties of [4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
[4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-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-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 63085261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).