(1,5-dimethylpyrazol-3-yl)-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone

C17H24N6O2 — CID 86893714

IUPAC(1,5-dimethylpyrazol-3-yl)-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCCOc1cc(C)nc(N2CCN(C(=O)c3cc(C)n(C)n3)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-5-25-15-10-12(2)18-17(19-15)23-8-6-22(7-9-23)16(24)14-11-13(3)21(4)20-14/h10-11H,5-9H2,1-4H3
InChIKeyFLRALLPFYOJVFD-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.19
Rot. Bonds4

About (1,5-dimethylpyrazol-3-yl)-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone

(1,5-dimethylpyrazol-3-yl)-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone (PubChem CID 86893714) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone
PubChem CID86893714
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone
SMILESCCOc1cc(C)nc(N2CCN(C(=O)c3cc(C)n(C)n3)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-5-25-15-10-12(2)18-17(19-15)23-8-6-22(7-9-23)16(24)14-11-13(3)21(4)20-14/h10-11H,5-9H2,1-4H3
InChIKeyFLRALLPFYOJVFD-UHFFFAOYSA-N
XLogP1.19
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone (CID 86893714) is (1,5-dimethylpyrazol-3-yl)-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone is CCOc1cc(C)nc(N2CCN(C(=O)c3cc(C)n(C)n3)CC2)n1.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone?
The InChIKey is FLRALLPFYOJVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-5-25-15-10-12(2)18-17(19-15)23-8-6-22(7-9-23)16(24)14-11-13(3)21(4)20-14/h10-11H,5-9H2,1-4H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 86893714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).