(1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone

C11H18N4O — CID 119578302

IUPAC(1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCNC(C)C2)nn1C
InChIInChI=1S/C11H18N4O/c1-8-7-15(5-4-12-8)11(16)10-6-9(2)14(3)13-10/h6,8,12H,4-5,7H2,1-3H3
InChIKeyARWQJAJZRSVJHF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.16
Rot. Bonds1

About (1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone

(1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 119578302) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
PubChem CID119578302
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCNC(C)C2)nn1C
InChIInChI=1S/C11H18N4O/c1-8-7-15(5-4-12-8)11(16)10-6-9(2)14(3)13-10/h6,8,12H,4-5,7H2,1-3H3
InChIKeyARWQJAJZRSVJHF-UHFFFAOYSA-N
XLogP0.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone (CID 119578302) is (1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCNC(C)C2)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is ARWQJAJZRSVJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-7-15(5-4-12-8)11(16)10-6-9(2)14(3)13-10/h6,8,12H,4-5,7H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone?
(1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119578302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).