1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone

C11H17N5O2 — CID 55034854

IUPAC1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2n[nH]c(C)c2N)CC1
InChIInChI=1S/C11H17N5O2/c1-7-9(12)10(14-13-7)11(18)16-5-3-15(4-6-16)8(2)17/h3-6,12H2,1-2H3,(H,13,14)
InChIKeyLBLQVSIXLCSFHB-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.40
Rot. Bonds1

About 1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone

1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 55034854) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID55034854
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2n[nH]c(C)c2N)CC1
InChIInChI=1S/C11H17N5O2/c1-7-9(12)10(14-13-7)11(18)16-5-3-15(4-6-16)8(2)17/h3-6,12H2,1-2H3,(H,13,14)
InChIKeyLBLQVSIXLCSFHB-UHFFFAOYSA-N
XLogP-0.40
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone (CID 55034854) is 1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2n[nH]c(C)c2N)CC1.
What is the InChIKey of 1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is LBLQVSIXLCSFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7-9(12)10(14-13-7)11(18)16-5-3-15(4-6-16)8(2)17/h3-6,12H2,1-2H3,(H,13,14).
What are the key properties of 1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone?
1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 251.29 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55034854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).