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

C15H14FN5O2 — CID 137253675

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazol-3-yl]-5-hydroxy-1H-pyrimidin-6-one
SMILESCNc1cc(-c2ncc(O)c(=O)[nH]2)nn1Cc1ccccc1F
InChIInChI=1S/C15H14FN5O2/c1-17-13-6-11(14-18-7-12(22)15(23)19-14)20-21(13)8-9-4-2-3-5-10(9)16/h2-7,17,22H,8H2,1H3,(H,18,19,23)
InChIKeyMVTDWJTZVFMACY-UHFFFAOYSA-N
MW315.31 g/mol
LogP1.57
Rot. Bonds4

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

2-[1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazol-3-yl]-5-hydroxy-1H-pyrimidin-6-one (PubChem CID 137253675) has the molecular formula C15H14FN5O2 and a molecular weight of 315.31 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazol-3-yl]-5-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazol-3-yl]-5-hydroxy-1H-pyrimidin-6-one
PubChem CID137253675
Molecular FormulaC15H14FN5O2
Molecular Weight315.31 g/mol
Exact Mass315.11
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazol-3-yl]-5-hydroxy-1H-pyrimidin-6-one
SMILESCNc1cc(-c2ncc(O)c(=O)[nH]2)nn1Cc1ccccc1F
InChIInChI=1S/C15H14FN5O2/c1-17-13-6-11(14-18-7-12(22)15(23)19-14)20-21(13)8-9-4-2-3-5-10(9)16/h2-7,17,22H,8H2,1H3,(H,18,19,23)
InChIKeyMVTDWJTZVFMACY-UHFFFAOYSA-N
XLogP1.57
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
CID 118233431
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
CID 118971275
2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrimidin-6-one
CID 123207241
ethyl 1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazole-3-carboxylate
CID 142141989
methyl 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 66614167
ethyl 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 68643354
2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218493
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidin-5-yl]-1-phenylcyclobutane-1-carboxamide
CID 146252415
2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
CID 71604425
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-oxo-1H-pyrimidine-5-carboximidate
CID 140652233
6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7664368
1-[(2-fluorophenyl)methyl]pyrazole-3,5-dicarboxylate
CID 22224479

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazol-3-yl]-5-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazol-3-yl]-5-hydroxy-1H-pyrimidin-6-one (CID 137253675) is 2-[1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazol-3-yl]-5-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazol-3-yl]-5-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazol-3-yl]-5-hydroxy-1H-pyrimidin-6-one is CNc1cc(-c2ncc(O)c(=O)[nH]2)nn1Cc1ccccc1F.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazol-3-yl]-5-hydroxy-1H-pyrimidin-6-one?
The InChIKey is MVTDWJTZVFMACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2/c1-17-13-6-11(14-18-7-12(22)15(23)19-14)20-21(13)8-9-4-2-3-5-10(9)16/h2-7,17,22H,8H2,1H3,(H,18,19,23).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazol-3-yl]-5-hydroxy-1H-pyrimidin-6-one?
2-[1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazol-3-yl]-5-hydroxy-1H-pyrimidin-6-one has a molecular weight of 315.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazol-3-yl]-5-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 137253675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).