6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H15FN4O2 — CID 4062440

IUPAC6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c[nH]n2c(=O)c(Cc3ccccc3F)c(C)nc12
InChIInChI=1S/C16H15FN4O2/c1-9-11(7-10-5-3-4-6-13(10)17)16(23)21-14(20-9)12(8-19-21)15(22)18-2/h3-6,8,19H,7H2,1-2H3,(H,18,22)
InChIKeyJQVQDJQXFOFFOT-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.42
Rot. Bonds3

About 6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4062440) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4062440
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c[nH]n2c(=O)c(Cc3ccccc3F)c(C)nc12
InChIInChI=1S/C16H15FN4O2/c1-9-11(7-10-5-3-4-6-13(10)17)16(23)21-14(20-9)12(8-19-21)15(22)18-2/h3-6,8,19H,7H2,1-2H3,(H,18,22)
InChIKeyJQVQDJQXFOFFOT-UHFFFAOYSA-N
XLogP1.42
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9(4H)-one
CID 1447956
6-benzyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 879019
6-[(2-Chloro-4-fluorophenyl)methyl]-7-hydroxy-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 15988881
6-Isopropyl-7-oxo-5-phenethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90419692
6-benzyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 132191203
7-Hydroxy-n-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16734067
3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 804632
6-benzyl-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 1447954
Methyl 6-(4-fluorobenzyl)-7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 3236603
6-benzyl-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 137636899
3-(4-fluorophenyl)-6-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 137662132
6-Ethyl-5-methyl-3-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 754776

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4062440) is 6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1c[nH]n2c(=O)c(Cc3ccccc3F)c(C)nc12.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JQVQDJQXFOFFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-9-11(7-10-5-3-4-6-13(10)17)16(23)21-14(20-9)12(8-19-21)15(22)18-2/h3-6,8,19H,7H2,1-2H3,(H,18,22).
What are the key properties of 6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4062440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).