6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C15H11FN4O — CID 82273430

IUPAC6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nc2c(C#N)c[nH]n2c(=O)c1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FN4O/c1-9-13(6-10-2-4-12(16)5-3-10)15(21)20-14(19-9)11(7-17)8-18-20/h2-5,8,18H,6H2,1H3
InChIKeyPQPQEAZHTNWBJU-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.93
Rot. Bonds2

About 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 82273430) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID82273430
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC Name6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nc2c(C#N)c[nH]n2c(=O)c1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FN4O/c1-9-13(6-10-2-4-12(16)5-3-10)15(21)20-14(19-9)11(7-17)8-18-20/h2-5,8,18H,6H2,1H3
InChIKeyPQPQEAZHTNWBJU-UHFFFAOYSA-N
XLogP1.93
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-6-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273508
6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273493
3-bromo-6-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273338
5-chloro-6-[(3-chlorophenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 54768593
5-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 3422239
7-oxo-5-phenyl-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 129317929
ethyl 3-cyano-7-oxo-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 90417375
6-ethyl-7-oxo-5-(pyrimidin-5-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90442356
5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 118908453
6-[(4-fluorophenyl)methyl]-5-methyl-N-(2-morpholin-4-ylethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15996161
3-cyano-N,6-diethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 78426283
ethyl 3-cyano-6-(2-hydroxyethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 15549755

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 82273430) is 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1nc2c(C#N)c[nH]n2c(=O)c1Cc1ccc(F)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is PQPQEAZHTNWBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c1-9-13(6-10-2-4-12(16)5-3-10)15(21)20-14(19-9)11(7-17)8-18-20/h2-5,8,18H,6H2,1H3.
What are the key properties of 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 282.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 82273430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).