(1-methylpyrazol-3-yl)-(2,3,4,6-tetramethylpiperazin-1-yl)methanone

C13H22N4O — CID 126835685

IUPAC(1-methylpyrazol-3-yl)-(2,3,4,6-tetramethylpiperazin-1-yl)methanone
SMILESCC1C(C)N(C(=O)c2ccn(C)n2)C(C)CN1C
InChIInChI=1S/C13H22N4O/c1-9-8-15(4)10(2)11(3)17(9)13(18)12-6-7-16(5)14-12/h6-7,9-11H,8H2,1-5H3
InChIKeyWQJMBUNHEJJQLR-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.97
Rot. Bonds1

About (1-methylpyrazol-3-yl)-(2,3,4,6-tetramethylpiperazin-1-yl)methanone

(1-methylpyrazol-3-yl)-(2,3,4,6-tetramethylpiperazin-1-yl)methanone (PubChem CID 126835685) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(2,3,4,6-tetramethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(2,3,4,6-tetramethylpiperazin-1-yl)methanone
PubChem CID126835685
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(1-methylpyrazol-3-yl)-(2,3,4,6-tetramethylpiperazin-1-yl)methanone
SMILESCC1C(C)N(C(=O)c2ccn(C)n2)C(C)CN1C
InChIInChI=1S/C13H22N4O/c1-9-8-15(4)10(2)11(3)17(9)13(18)12-6-7-16(5)14-12/h6-7,9-11H,8H2,1-5H3
InChIKeyWQJMBUNHEJJQLR-UHFFFAOYSA-N
XLogP0.97
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(2,3,4,6-tetramethylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-(2,3,4,6-tetramethylpiperazin-1-yl)methanone (CID 126835685) is (1-methylpyrazol-3-yl)-(2,3,4,6-tetramethylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(2,3,4,6-tetramethylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-(2,3,4,6-tetramethylpiperazin-1-yl)methanone is CC1C(C)N(C(=O)c2ccn(C)n2)C(C)CN1C.
What is the InChIKey of (1-methylpyrazol-3-yl)-(2,3,4,6-tetramethylpiperazin-1-yl)methanone?
The InChIKey is WQJMBUNHEJJQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-8-15(4)10(2)11(3)17(9)13(18)12-6-7-16(5)14-12/h6-7,9-11H,8H2,1-5H3.
What are the key properties of (1-methylpyrazol-3-yl)-(2,3,4,6-tetramethylpiperazin-1-yl)methanone?
(1-methylpyrazol-3-yl)-(2,3,4,6-tetramethylpiperazin-1-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-(2,3,4,6-tetramethylpiperazin-1-yl)methanone is sourced from PubChem (CID 126835685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).