4-(1,5-dimethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one

C12H18N4O2 — CID 16863920

IUPAC4-(1,5-dimethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCc1cc(C(=O)N2CCNC(=O)C2(C)C)nn1C
InChIInChI=1S/C12H18N4O2/c1-8-7-9(14-15(8)4)10(17)16-6-5-13-11(18)12(16,2)3/h7H,5-6H2,1-4H3,(H,13,18)
InChIKeySACDBNUYWLTDNE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.08
Rot. Bonds1

About 4-(1,5-dimethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one

4-(1,5-dimethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 16863920) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one
PubChem CID16863920
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-(1,5-dimethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCc1cc(C(=O)N2CCNC(=O)C2(C)C)nn1C
InChIInChI=1S/C12H18N4O2/c1-8-7-9(14-15(8)4)10(17)16-6-5-13-11(18)12(16,2)3/h7H,5-6H2,1-4H3,(H,13,18)
InChIKeySACDBNUYWLTDNE-UHFFFAOYSA-N
XLogP0.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(1,5-dimethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one (CID 16863920) is 4-(1,5-dimethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(1,5-dimethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(1,5-dimethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one is Cc1cc(C(=O)N2CCNC(=O)C2(C)C)nn1C.
What is the InChIKey of 4-(1,5-dimethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is SACDBNUYWLTDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-7-9(14-15(8)4)10(17)16-6-5-13-11(18)12(16,2)3/h7H,5-6H2,1-4H3,(H,13,18).
What are the key properties of 4-(1,5-dimethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one?
4-(1,5-dimethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 16863920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).