4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1-methylpiperazin-2-one

C19H20N6O2 — CID 46985342

IUPAC4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1-methylpiperazin-2-one
SMILESCOc1ccc(-n2cc(-c3ccnc(N4CCN(C)C(=O)C4)n3)cn2)cc1
InChIInChI=1S/C19H20N6O2/c1-23-9-10-24(13-18(23)26)19-20-8-7-17(22-19)14-11-21-25(12-14)15-3-5-16(27-2)6-4-15/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyULSCYYZABCGPKD-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.62
Rot. Bonds4

About 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1-methylpiperazin-2-one

4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1-methylpiperazin-2-one (PubChem CID 46985342) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1-methylpiperazin-2-one
PubChem CID46985342
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1-methylpiperazin-2-one
SMILESCOc1ccc(-n2cc(-c3ccnc(N4CCN(C)C(=O)C4)n3)cn2)cc1
InChIInChI=1S/C19H20N6O2/c1-23-9-10-24(13-18(23)26)19-20-8-7-17(22-19)14-11-21-25(12-14)15-3-5-16(27-2)6-4-15/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyULSCYYZABCGPKD-UHFFFAOYSA-N
XLogP1.62
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1-methylpiperazin-2-one (CID 46985342) is 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1-methylpiperazin-2-one is COc1ccc(-n2cc(-c3ccnc(N4CCN(C)C(=O)C4)n3)cn2)cc1.
What is the InChIKey of 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1-methylpiperazin-2-one?
The InChIKey is ULSCYYZABCGPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-23-9-10-24(13-18(23)26)19-20-8-7-17(22-19)14-11-21-25(12-14)15-3-5-16(27-2)6-4-15/h3-8,11-12H,9-10,13H2,1-2H3.
What are the key properties of 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1-methylpiperazin-2-one?
4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1-methylpiperazin-2-one has a molecular weight of 364.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-methoxyphenyl)pyrazol-4-yl]pyrimidin-2-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 46985342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).