2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide

C19H20FN5O3 — CID 135753266

IUPAC2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccccc2F)n1
InChIInChI=1S/C19H20FN5O3/c1-3-6-13-10-17(26)23-19(21-13)25-16(9-12(2)24-25)22-18(27)11-28-15-8-5-4-7-14(15)20/h4-5,7-10H,3,6,11H2,1-2H3,(H,22,27)(H,21,23,26)
InChIKeyQMTNIFGBBBWDHX-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.37
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide

2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide (PubChem CID 135753266) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
PubChem CID135753266
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccccc2F)n1
InChIInChI=1S/C19H20FN5O3/c1-3-6-13-10-17(26)23-19(21-13)25-16(9-12(2)24-25)22-18(27)11-28-15-8-5-4-7-14(15)20/h4-5,7-10H,3,6,11H2,1-2H3,(H,22,27)(H,21,23,26)
InChIKeyQMTNIFGBBBWDHX-UHFFFAOYSA-N
XLogP2.37
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide (CID 135753266) is 2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide is CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COc2ccccc2F)n1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is QMTNIFGBBBWDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-3-6-13-10-17(26)23-19(21-13)25-16(9-12(2)24-25)22-18(27)11-28-15-8-5-4-7-14(15)20/h4-5,7-10H,3,6,11H2,1-2H3,(H,22,27)(H,21,23,26).
What are the key properties of 2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 385.40 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 135753266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).