(2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone

C15H18N4O — CID 119472810

IUPAC(2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESCC1CNCCN1C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H18N4O/c1-11-10-16-7-8-19(11)15(20)14-9-13(17-18-14)12-5-3-2-4-6-12/h2-6,9,11,16H,7-8,10H2,1H3,(H,17,18)
InChIKeyZYEQKPQJQJEQBO-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.51
Rot. Bonds2

About (2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone

(2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 119472810) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID119472810
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESCC1CNCCN1C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H18N4O/c1-11-10-16-7-8-19(11)15(20)14-9-13(17-18-14)12-5-3-2-4-6-12/h2-6,9,11,16H,7-8,10H2,1H3,(H,17,18)
InChIKeyZYEQKPQJQJEQBO-UHFFFAOYSA-N
XLogP1.51
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of (2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 119472810) is (2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for (2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for (2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone is CC1CNCCN1C(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of (2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is ZYEQKPQJQJEQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-10-16-7-8-19(11)15(20)14-9-13(17-18-14)12-5-3-2-4-6-12/h2-6,9,11,16H,7-8,10H2,1H3,(H,17,18).
What are the key properties of (2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone?
(2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 119472810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).