2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one

C16H15F2N5O — CID 118233431

IUPAC2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
SMILESCN(C)c1cc(-c2ncc(F)c(=O)[nH]2)nn1Cc1ccccc1F
InChIInChI=1S/C16H15F2N5O/c1-22(2)14-7-13(15-19-8-12(18)16(24)20-15)21-23(14)9-10-5-3-4-6-11(10)17/h3-8H,9H2,1-2H3,(H,19,20,24)
InChIKeyYEYPJNQRMFIWBN-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.03
Rot. Bonds4

About 2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one

2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one (PubChem CID 118233431) has the molecular formula C16H15F2N5O and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
PubChem CID118233431
Molecular FormulaC16H15F2N5O
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
SMILESCN(C)c1cc(-c2ncc(F)c(=O)[nH]2)nn1Cc1ccccc1F
InChIInChI=1S/C16H15F2N5O/c1-22(2)14-7-13(15-19-8-12(18)16(24)20-15)21-23(14)9-10-5-3-4-6-11(10)17/h3-8H,9H2,1-2H3,(H,19,20,24)
InChIKeyYEYPJNQRMFIWBN-UHFFFAOYSA-N
XLogP2.03
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one (CID 118233431) is 2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one is CN(C)c1cc(-c2ncc(F)c(=O)[nH]2)nn1Cc1ccccc1F.
What is the InChIKey of 2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is YEYPJNQRMFIWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O/c1-22(2)14-7-13(15-19-8-12(18)16(24)20-15)21-23(14)9-10-5-3-4-6-11(10)17/h3-8H,9H2,1-2H3,(H,19,20,24).
What are the key properties of 2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one?
2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 331.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 118233431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).