(2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone

C12H20N4O — CID 120572020

IUPAC(2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
SMILESCCc1cc(C(=O)N2CCNC(C)C2C)n[nH]1
InChIInChI=1S/C12H20N4O/c1-4-10-7-11(15-14-10)12(17)16-6-5-13-8(2)9(16)3/h7-9,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyVQFRJYACRNLRHG-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.79
Rot. Bonds2

About (2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone

(2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone (PubChem CID 120572020) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
PubChem CID120572020
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
SMILESCCc1cc(C(=O)N2CCNC(C)C2C)n[nH]1
InChIInChI=1S/C12H20N4O/c1-4-10-7-11(15-14-10)12(17)16-6-5-13-8(2)9(16)3/h7-9,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyVQFRJYACRNLRHG-UHFFFAOYSA-N
XLogP0.79
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone (CID 120572020) is (2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone is CCc1cc(C(=O)N2CCNC(C)C2C)n[nH]1.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone?
The InChIKey is VQFRJYACRNLRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-10-7-11(15-14-10)12(17)16-6-5-13-8(2)9(16)3/h7-9,13H,4-6H2,1-3H3,(H,14,15).
What are the key properties of (2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone?
(2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 120572020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).