4-[3-(3-aminopyrazol-1-yl)propyl]-3,3-dimethylpiperazin-2-one

C12H21N5O — CID 63594885

IUPAC4-[3-(3-aminopyrazol-1-yl)propyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1CCCn1ccc(N)n1
InChIInChI=1S/C12H21N5O/c1-12(2)11(18)14-5-9-16(12)6-3-7-17-8-4-10(13)15-17/h4,8H,3,5-7,9H2,1-2H3,(H2,13,15)(H,14,18)
InChIKeyXGQMXCKBJIXGFB-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.07
Rot. Bonds4

About 4-[3-(3-aminopyrazol-1-yl)propyl]-3,3-dimethylpiperazin-2-one

4-[3-(3-aminopyrazol-1-yl)propyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63594885) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[3-(3-aminopyrazol-1-yl)propyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(3-aminopyrazol-1-yl)propyl]-3,3-dimethylpiperazin-2-one
PubChem CID63594885
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-[3-(3-aminopyrazol-1-yl)propyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1CCCn1ccc(N)n1
InChIInChI=1S/C12H21N5O/c1-12(2)11(18)14-5-9-16(12)6-3-7-17-8-4-10(13)15-17/h4,8H,3,5-7,9H2,1-2H3,(H2,13,15)(H,14,18)
InChIKeyXGQMXCKBJIXGFB-UHFFFAOYSA-N
XLogP0.07
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-aminopyrazol-1-yl)propyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[3-(3-aminopyrazol-1-yl)propyl]-3,3-dimethylpiperazin-2-one (CID 63594885) is 4-[3-(3-aminopyrazol-1-yl)propyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[3-(3-aminopyrazol-1-yl)propyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[3-(3-aminopyrazol-1-yl)propyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1CCCn1ccc(N)n1.
What is the InChIKey of 4-[3-(3-aminopyrazol-1-yl)propyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is XGQMXCKBJIXGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-12(2)11(18)14-5-9-16(12)6-3-7-17-8-4-10(13)15-17/h4,8H,3,5-7,9H2,1-2H3,(H2,13,15)(H,14,18).
What are the key properties of 4-[3-(3-aminopyrazol-1-yl)propyl]-3,3-dimethylpiperazin-2-one?
4-[3-(3-aminopyrazol-1-yl)propyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 251.33 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-aminopyrazol-1-yl)propyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63594885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).