(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone

C10H16N4O — CID 2172453

IUPAC(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
SMILESCN1CCN(C(=O)c2ccn(C)n2)CC1
InChIInChI=1S/C10H16N4O/c1-12-5-7-14(8-6-12)10(15)9-3-4-13(2)11-9/h3-4H,5-8H2,1-2H3
InChIKeyJZHLBTMDPUFOPY-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.19
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone

(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone (PubChem CID 2172453) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
PubChem CID2172453
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
SMILESCN1CCN(C(=O)c2ccn(C)n2)CC1
InChIInChI=1S/C10H16N4O/c1-12-5-7-14(8-6-12)10(15)9-3-4-13(2)11-9/h3-4H,5-8H2,1-2H3
InChIKeyJZHLBTMDPUFOPY-UHFFFAOYSA-N
XLogP-0.19
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone (CID 2172453) is (4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone is CN1CCN(C(=O)c2ccn(C)n2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone?
The InChIKey is JZHLBTMDPUFOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-12-5-7-14(8-6-12)10(15)9-3-4-13(2)11-9/h3-4H,5-8H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone?
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of -0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 2172453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).