3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C13H15FN4O2 — CID 167746403

IUPAC3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]cc(C(=O)N3CCC(CF)C3)c2n1
InChIInChI=1S/C13H15FN4O2/c1-8-4-11(19)18-12(16-8)10(6-15-18)13(20)17-3-2-9(5-14)7-17/h4,6,9,15H,2-3,5,7H2,1H3
InChIKeyWSMNBXNOAFXHNW-UHFFFAOYSA-N
MW278.29 g/mol
LogP0.76
Rot. Bonds2

About 3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 167746403) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID167746403
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]cc(C(=O)N3CCC(CF)C3)c2n1
InChIInChI=1S/C13H15FN4O2/c1-8-4-11(19)18-12(16-8)10(6-15-18)13(20)17-3-2-9(5-14)7-17/h4,6,9,15H,2-3,5,7H2,1H3
InChIKeyWSMNBXNOAFXHNW-UHFFFAOYSA-N
XLogP0.76
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(fluoromethyl)-2-methylazetidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 175830986
7-Hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110485760
N,N,5-trimethyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56766757
5-Methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 56766758
N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110485745
N-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110485749
N-(2-aminoethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110485751
5-methyl-7-oxo-N-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110485754
5-methyl-7-oxo-N-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110485761
5-methyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110485762
N-(3-aminopropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110485767
5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110485770

Frequently Asked Questions

What is the IUPAC name of 3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 167746403) is 3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]cc(C(=O)N3CCC(CF)C3)c2n1.
What is the InChIKey of 3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WSMNBXNOAFXHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-8-4-11(19)18-12(16-8)10(6-15-18)13(20)17-3-2-9(5-14)7-17/h4,6,9,15H,2-3,5,7H2,1H3.
What are the key properties of 3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 278.29 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 167746403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).