(5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C13H16N6O — CID 20906482

IUPAC(5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ncccn3)CC2)n[nH]1
InChIInChI=1S/C13H16N6O/c1-10-9-11(17-16-10)12(20)18-5-7-19(8-6-18)13-14-3-2-4-15-13/h2-4,9H,5-8H2,1H3,(H,16,17)
InChIKeyOVZLLJQCEVVFCS-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.47
Rot. Bonds2

About (5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 20906482) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID20906482
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name(5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ncccn3)CC2)n[nH]1
InChIInChI=1S/C13H16N6O/c1-10-9-11(17-16-10)12(20)18-5-7-19(8-6-18)13-14-3-2-4-15-13/h2-4,9H,5-8H2,1H3,(H,16,17)
InChIKeyOVZLLJQCEVVFCS-UHFFFAOYSA-N
XLogP0.47
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 20906482) is (5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)n[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is OVZLLJQCEVVFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-10-9-11(17-16-10)12(20)18-5-7-19(8-6-18)13-14-3-2-4-15-13/h2-4,9H,5-8H2,1H3,(H,16,17).
What are the key properties of (5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 272.31 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 20906482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).