2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetic acid

C9H6F3N3O3 — CID 68784454

IUPAC2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetic acid
SMILESO=C(O)Cn1c(=O)ccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C9H6F3N3O3/c10-9(11,12)5-3-6-14(4-8(17)18)7(16)1-2-15(6)13-5/h1-3H,4H2,(H,17,18)
InChIKeyQTGHKKTXNPKEHF-UHFFFAOYSA-N
MW261.16 g/mol
LogP0.60
Rot. Bonds2

About 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetic acid

2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetic acid (PubChem CID 68784454) has the molecular formula C9H6F3N3O3 and a molecular weight of 261.16 g/mol. Its IUPAC name is 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetic acid
PubChem CID68784454
Molecular FormulaC9H6F3N3O3
Molecular Weight261.16 g/mol
Exact Mass261.04
IUPAC Name2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetic acid
SMILESO=C(O)Cn1c(=O)ccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C9H6F3N3O3/c10-9(11,12)5-3-6-14(4-8(17)18)7(16)1-2-15(6)13-5/h1-3H,4H2,(H,17,18)
InChIKeyQTGHKKTXNPKEHF-UHFFFAOYSA-N
XLogP0.60
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidin-4-yl)acetic acid
CID 20887728
Methyl 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetate
CID 68784411
2-[5-Oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 68784639
2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5(4h)-one
CID 135741847
[5-Oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]methyl acetate
CID 141275969
4-Methyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271440
4-Ethyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271470
7-Oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271495
4-(2-Methylpropyl)-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271515
2-[3-methyl-5-(2,2,2-trifluoroacetamido)-1H-pyrazol-1-yl]acetic acid
CID 165918510
2-[5-methyl-3-(2,2,2-trifluoroacetamido)-1H-pyrazol-1-yl]acetic acid
CID 165940154
2,4-Dimethylpyrazolo[1,5-a]pyrimidin-5(4H)-one
CID 118988325

Frequently Asked Questions

What is the IUPAC name of 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetic acid?
The IUPAC name of 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetic acid (CID 68784454) is 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetic acid.
What is the SMILES notation for 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetic acid?
The canonical SMILES for 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetic acid is O=C(O)Cn1c(=O)ccn2nc(C(F)(F)F)cc12.
What is the InChIKey of 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetic acid?
The InChIKey is QTGHKKTXNPKEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O3/c10-9(11,12)5-3-6-14(4-8(17)18)7(16)1-2-15(6)13-5/h1-3H,4H2,(H,17,18).
What are the key properties of 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetic acid?
2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetic acid has a molecular weight of 261.16 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-4-yl]acetic acid is sourced from PubChem (CID 68784454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).