2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide

C14H19FN4O2 — CID 131693779

IUPAC2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide
SMILESCNC(=O)CC1CN(C(=O)C2CC(F)C2)Cc2ccnn21
InChIInChI=1S/C14H19FN4O2/c1-16-13(20)6-12-8-18(7-11-2-3-17-19(11)12)14(21)9-4-10(15)5-9/h2-3,9-10,12H,4-8H2,1H3,(H,16,20)
InChIKeyQSFRZZXWDCRMHC-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.65
Rot. Bonds3

About 2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide

2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide (PubChem CID 131693779) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide
PubChem CID131693779
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC Name2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide
SMILESCNC(=O)CC1CN(C(=O)C2CC(F)C2)Cc2ccnn21
InChIInChI=1S/C14H19FN4O2/c1-16-13(20)6-12-8-18(7-11-2-3-17-19(11)12)14(21)9-4-10(15)5-9/h2-3,9-10,12H,4-8H2,1H3,(H,16,20)
InChIKeyQSFRZZXWDCRMHC-UHFFFAOYSA-N
XLogP0.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[5-(pyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131693758
N-methyl-2-[(7S)-5-(1-methylindole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124814867
N-methyl-2-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131677523
2-[(7S)-5-[2-(4-fluoro-2-methoxyphenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide
CID 124799431
N-methyl-2-[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131677897
N-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131677306
N-(furan-2-ylmethyl)-2-[5-(2-methylcyclopropanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131693643
2-[5-[(4-ethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 155861975
N-methyl-2-[5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155860747
N-[[(7S)-5-(oxane-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 124782387
2-[5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 155863599
N-methyl-2-[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 171694951

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide?
The IUPAC name of 2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide (CID 131693779) is 2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide is CNC(=O)CC1CN(C(=O)C2CC(F)C2)Cc2ccnn21.
What is the InChIKey of 2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide?
The InChIKey is QSFRZZXWDCRMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-16-13(20)6-12-8-18(7-11-2-3-17-19(11)12)14(21)9-4-10(15)5-9/h2-3,9-10,12H,4-8H2,1H3,(H,16,20).
What are the key properties of 2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide?
2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide has a molecular weight of 294.33 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide is sourced from PubChem (CID 131693779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).