5-(3-aminopropyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C10H11F3N4O — CID 82271059

IUPAC5-(3-aminopropyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNCCCc1cc(=O)n2[nH]c(C(F)(F)F)cc2n1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)7-5-8-15-6(2-1-3-14)4-9(18)17(8)16-7/h4-5,16H,1-3,14H2
InChIKeyIXPKZHSZHLASMZ-UHFFFAOYSA-N
MW260.22 g/mol
LogP0.93
Rot. Bonds3

About 5-(3-aminopropyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(3-aminopropyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271059) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 5-(3-aminopropyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271059
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name5-(3-aminopropyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNCCCc1cc(=O)n2[nH]c(C(F)(F)F)cc2n1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)7-5-8-15-6(2-1-3-14)4-9(18)17(8)16-7/h4-5,16H,1-3,14H2
InChIKeyIXPKZHSZHLASMZ-UHFFFAOYSA-N
XLogP0.93
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(3-aminopropyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82271059) is 5-(3-aminopropyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(3-aminopropyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(3-aminopropyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is NCCCc1cc(=O)n2[nH]c(C(F)(F)F)cc2n1.
What is the InChIKey of 5-(3-aminopropyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IXPKZHSZHLASMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)7-5-8-15-6(2-1-3-14)4-9(18)17(8)16-7/h4-5,16H,1-3,14H2.
What are the key properties of 5-(3-aminopropyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(3-aminopropyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 260.22 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).