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

C12H21N5O — CID 55201582

IUPAC[4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCCC(CN)N1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C12H21N5O/c1-2-11(7-13)16-3-5-17(6-4-16)12(18)10-8-14-15-9-10/h8-9,11H,2-7,13H2,1H3,(H,14,15)
InChIKeySVFOQUPYNMJZKJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.10
Rot. Bonds4

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

[4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 55201582) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is [4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID55201582
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name[4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCCC(CN)N1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C12H21N5O/c1-2-11(7-13)16-3-5-17(6-4-16)12(18)10-8-14-15-9-10/h8-9,11H,2-7,13H2,1H3,(H,14,15)
InChIKeySVFOQUPYNMJZKJ-UHFFFAOYSA-N
XLogP-0.10
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63085261
2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]butanethioamide
CID 63340326
(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582709
N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide
CID 77012746
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63595151
[4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 55201001
[4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 124608051
[4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 102921173
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 63341292
[4-(2-bromoethyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 80660526
[4-(ethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 60818050

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 55201582) is [4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone is CCC(CN)N1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is SVFOQUPYNMJZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-11(7-13)16-3-5-17(6-4-16)12(18)10-8-14-15-9-10/h8-9,11H,2-7,13H2,1H3,(H,14,15).
What are the key properties of [4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 55201582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).