5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C17H21FN6O — CID 134439518

IUPAC5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2cnn(CC3(F)CCCC3)c2)nc2nc[nH]n2c1=O
InChIInChI=1S/C17H21FN6O/c1-11(2)13-14(22-16-19-10-21-24(16)15(13)25)12-7-20-23(8-12)9-17(18)5-3-4-6-17/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,21,22)
InChIKeyIJPWYZQFFOTUSI-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.69
Rot. Bonds4

About 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 134439518) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID134439518
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC Name5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2cnn(CC3(F)CCCC3)c2)nc2nc[nH]n2c1=O
InChIInChI=1S/C17H21FN6O/c1-11(2)13-14(22-16-19-10-21-24(16)15(13)25)12-7-20-23(8-12)9-17(18)5-3-4-6-17/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,21,22)
InChIKeyIJPWYZQFFOTUSI-UHFFFAOYSA-N
XLogP2.69
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 134439518) is 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1c(-c2cnn(CC3(F)CCCC3)c2)nc2nc[nH]n2c1=O.
What is the InChIKey of 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IJPWYZQFFOTUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O/c1-11(2)13-14(22-16-19-10-21-24(16)15(13)25)12-7-20-23(8-12)9-17(18)5-3-4-6-17/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,21,22).
What are the key properties of 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 344.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134439518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).