N-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide

C17H19FN4O2 — CID 46282383

IUPACN-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)Nc1ccccc1F
InChIInChI=1S/C17H19FN4O2/c1-12-11-16-21(9-4-10-22(16)20-12)17(24)8-7-15(23)19-14-6-3-2-5-13(14)18/h2-3,5-6,11H,4,7-10H2,1H3,(H,19,23)
InChIKeyPJGFGJSHYCRCLA-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.49
Rot. Bonds4

About N-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide

N-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide (PubChem CID 46282383) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
PubChem CID46282383
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
SMILESCc1cc2n(n1)CCCN2C(=O)CCC(=O)Nc1ccccc1F
InChIInChI=1S/C17H19FN4O2/c1-12-11-16-21(9-4-10-22(16)20-12)17(24)8-7-15(23)19-14-6-3-2-5-13(14)18/h2-3,5-6,11H,4,7-10H2,1H3,(H,19,23)
InChIKeyPJGFGJSHYCRCLA-UHFFFAOYSA-N
XLogP2.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 118165762
1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-(2-methyl-4-phenylphenyl)pentane-1,4-dione
CID 153157588
N-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 46341564
N-(2-fluorophenyl)butanamide
CID 849021
4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942414
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide
CID 91820804
N-(2-fluorophenyl)-N'-[(4-methylphenyl)methylideneamino]butanediamide
CID 3954724
3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42195090
N-(2-fluorophenyl)-3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]propanamide
CID 56524799
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The IUPAC name of N-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide (CID 46282383) is N-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide is Cc1cc2n(n1)CCCN2C(=O)CCC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
The InChIKey is PJGFGJSHYCRCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-12-11-16-21(9-4-10-22(16)20-12)17(24)8-7-15(23)19-14-6-3-2-5-13(14)18/h2-3,5-6,11H,4,7-10H2,1H3,(H,19,23).
What are the key properties of N-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide?
N-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide has a molecular weight of 330.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide is sourced from PubChem (CID 46282383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).