3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one

C15H13ClFN3O2 — CID 137010204

IUPAC3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nn2c(O)cc(=O)[nH]c2c1Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H13ClFN3O2/c1-2-12-10(5-8-3-4-9(16)6-11(8)17)15-18-13(21)7-14(22)20(15)19-12/h3-4,6-7,22H,2,5H2,1H3,(H,18,21)
InChIKeyNEZSKPRPQFUQCY-UHFFFAOYSA-N
MW321.74 g/mol
LogP2.67
Rot. Bonds3

About 3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137010204) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137010204
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC Name3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nn2c(O)cc(=O)[nH]c2c1Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H13ClFN3O2/c1-2-12-10(5-8-3-4-9(16)6-11(8)17)15-18-13(21)7-14(22)20(15)19-12/h3-4,6-7,22H,2,5H2,1H3,(H,18,21)
InChIKeyNEZSKPRPQFUQCY-UHFFFAOYSA-N
XLogP2.67
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]acetamide
CID 794164
4-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753079
3-(4-chlorophenyl)-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 136325407
2-(4-chlorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-5(4H)-one
CID 135515082
1-(4-chlorophenyl)-N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 135752976
N-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-yl]acetamide
CID 701998
N-[1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-5-yl]acetamide
CID 2267427
4-chloro-N-(3-methyl-1-(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)benzamide
CID 135753230
2-[5-[(4-chlorophenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 169018019
7-Methyl-2-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135418889
3-(4-chlorophenyl)-N-(1,3-dimethyl-1H-pyrazol-5-yl)propanamide
CID 35532133

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137010204) is 3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one is CCc1nn2c(O)cc(=O)[nH]c2c1Cc1ccc(Cl)cc1F.
What is the InChIKey of 3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is NEZSKPRPQFUQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c1-2-12-10(5-8-3-4-9(16)6-11(8)17)15-18-13(21)7-14(22)20(15)19-12/h3-4,6-7,22H,2,5H2,1H3,(H,18,21).
What are the key properties of 3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 321.74 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137010204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).