(2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone

C16H20N4O — CID 71877253

IUPAC(2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone
SMILESCC1CN(C)CCN1C(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C16H20N4O/c1-13-12-18(2)10-11-19(13)16(21)14-6-3-4-7-15(14)20-9-5-8-17-20/h3-9,13H,10-12H2,1-2H3
InChIKeyKRTJAKNKYYNPER-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.65
Rot. Bonds2

About (2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone

(2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone (PubChem CID 71877253) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone
PubChem CID71877253
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone
SMILESCC1CN(C)CCN1C(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C16H20N4O/c1-13-12-18(2)10-11-19(13)16(21)14-6-3-4-7-15(14)20-9-5-8-17-20/h3-9,13H,10-12H2,1-2H3
InChIKeyKRTJAKNKYYNPER-UHFFFAOYSA-N
XLogP1.65
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone (CID 71877253) is (2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone is CC1CN(C)CCN1C(=O)c1ccccc1-n1cccn1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone?
The InChIKey is KRTJAKNKYYNPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-12-18(2)10-11-19(13)16(21)14-6-3-4-7-15(14)20-9-5-8-17-20/h3-9,13H,10-12H2,1-2H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone?
(2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone has a molecular weight of 284.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 71877253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).