4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one

C19H20N6O — CID 46987426

IUPAC4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one
SMILESCc1nn(C)cc1-c1ccnc(N2CCN(c3ccccc3)C(=O)C2)n1
InChIInChI=1S/C19H20N6O/c1-14-16(12-23(2)22-14)17-8-9-20-19(21-17)24-10-11-25(18(26)13-24)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyNUNLWIJIKUWICJ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.04
Rot. Bonds3

About 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one

4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one (PubChem CID 46987426) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one
PubChem CID46987426
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one
SMILESCc1nn(C)cc1-c1ccnc(N2CCN(c3ccccc3)C(=O)C2)n1
InChIInChI=1S/C19H20N6O/c1-14-16(12-23(2)22-14)17-8-9-20-19(21-17)24-10-11-25(18(26)13-24)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyNUNLWIJIKUWICJ-UHFFFAOYSA-N
XLogP2.04
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one (CID 46987426) is 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one is Cc1nn(C)cc1-c1ccnc(N2CCN(c3ccccc3)C(=O)C2)n1.
What is the InChIKey of 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one?
The InChIKey is NUNLWIJIKUWICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-14-16(12-23(2)22-14)17-8-9-20-19(21-17)24-10-11-25(18(26)13-24)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one?
4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one has a molecular weight of 348.41 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 46987426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).