1-[2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

C20H20FN5O3 — CID 56744336

IUPAC1-[2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCCC(c2[nH]ncc2-c2ccc(F)cc2)C1
InChIInChI=1S/C20H20FN5O3/c21-15-5-3-13(4-6-15)16-10-22-24-19(16)14-2-1-8-25(11-14)18(28)12-26-9-7-17(27)23-20(26)29/h3-7,9-10,14H,1-2,8,11-12H2,(H,22,24)(H,23,27,29)
InChIKeyBWSXTGWGMVGXMT-UHFFFAOYSA-N
MW397.41 g/mol
LogP1.47
Rot. Bonds4

About 1-[2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

1-[2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 56744336) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is 1-[2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID56744336
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC Name1-[2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCCC(c2[nH]ncc2-c2ccc(F)cc2)C1
InChIInChI=1S/C20H20FN5O3/c21-15-5-3-13(4-6-15)16-10-22-24-19(16)14-2-1-8-25(11-14)18(28)12-26-9-7-17(27)23-20(26)29/h3-7,9-10,14H,1-2,8,11-12H2,(H,22,24)(H,23,27,29)
InChIKeyBWSXTGWGMVGXMT-UHFFFAOYSA-N
XLogP1.47
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 56744336) is 1-[2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)N1CCCC(c2[nH]ncc2-c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is BWSXTGWGMVGXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c21-15-5-3-13(4-6-15)16-10-22-24-19(16)14-2-1-8-25(11-14)18(28)12-26-9-7-17(27)23-20(26)29/h3-7,9-10,14H,1-2,8,11-12H2,(H,22,24)(H,23,27,29).
What are the key properties of 1-[2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 397.41 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56744336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).