5-[[4-(2-ethylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one

C17H23N5O2 — CID 53191730

IUPAC5-[[4-(2-ethylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCCn1nccc1C(=O)N1CCN(Cc2ccc(=O)n(C)c2)CC1
InChIInChI=1S/C17H23N5O2/c1-3-22-15(6-7-18-22)17(24)21-10-8-20(9-11-21)13-14-4-5-16(23)19(2)12-14/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyRFLWMEDVDLAFBX-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.56
Rot. Bonds4

About 5-[[4-(2-ethylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one

5-[[4-(2-ethylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 53191730) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-[[4-(2-ethylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[4-(2-ethylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID53191730
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name5-[[4-(2-ethylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCCn1nccc1C(=O)N1CCN(Cc2ccc(=O)n(C)c2)CC1
InChIInChI=1S/C17H23N5O2/c1-3-22-15(6-7-18-22)17(24)21-10-8-20(9-11-21)13-14-4-5-16(23)19(2)12-14/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyRFLWMEDVDLAFBX-UHFFFAOYSA-N
XLogP0.56
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-ethylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[[4-(2-ethylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one (CID 53191730) is 5-[[4-(2-ethylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[4-(2-ethylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[[4-(2-ethylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one is CCn1nccc1C(=O)N1CCN(Cc2ccc(=O)n(C)c2)CC1.
What is the InChIKey of 5-[[4-(2-ethylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is RFLWMEDVDLAFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-22-15(6-7-18-22)17(24)21-10-8-20(9-11-21)13-14-4-5-16(23)19(2)12-14/h4-7,12H,3,8-11,13H2,1-2H3.
What are the key properties of 5-[[4-(2-ethylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one?
5-[[4-(2-ethylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 329.40 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-ethylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 53191730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).