2-[7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid

C9H5ClF3N3O2 — CID 82271653

IUPAC2-[7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cc(Cl)n2nc(C(F)(F)F)cc2n1
InChIInChI=1S/C9H5ClF3N3O2/c10-6-1-4(2-8(17)18)14-7-3-5(9(11,12)13)15-16(6)7/h1,3H,2H2,(H,17,18)
InChIKeyVRUXDQDPCJEPBW-UHFFFAOYSA-N
MW279.61 g/mol
LogP2.03
Rot. Bonds2

About 2-[7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid

2-[7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid (PubChem CID 82271653) has the molecular formula C9H5ClF3N3O2 and a molecular weight of 279.61 g/mol. Its IUPAC name is 2-[7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid
PubChem CID82271653
Molecular FormulaC9H5ClF3N3O2
Molecular Weight279.61 g/mol
Exact Mass279.00
IUPAC Name2-[7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cc(Cl)n2nc(C(F)(F)F)cc2n1
InChIInChI=1S/C9H5ClF3N3O2/c10-6-1-4(2-8(17)18)14-7-3-5(9(11,12)13)15-16(6)7/h1,3H,2H2,(H,17,18)
InChIKeyVRUXDQDPCJEPBW-UHFFFAOYSA-N
XLogP2.03
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.61
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 84728496
2-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]acetic acid
CID 155982192
2,2-Difluoro-2-{pyrazolo[1,5-a]pyrimidin-2-yl}acetic acid
CID 165979712
diethyl 2-(5-chloro-2H-pyrazolo[1,5-a]pyrimidin-2-ylium-7-yl)propanedioate
CID 59635523
Methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
CID 124171709
Ethyl 2-(7-chloro-3-iodo-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl)acetate
CID 139330069
Ethyl 2-(7-chloro-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl)acetate
CID 139330265
Ethyl 2-(7-chloro-2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)acetate
CID 139340699
2-(5-Chloropyrazolo[1,5-a]pyrimidin-7-yl)propanedioic acid
CID 141284061
2-(2-Tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 141303473
2-(7-Chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 141303476
2-(7-Chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidin-6-yl)pentanoic acid
CID 141303486

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid (CID 82271653) is 2-[7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid is O=C(O)Cc1cc(Cl)n2nc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-[7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid?
The InChIKey is VRUXDQDPCJEPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3O2/c10-6-1-4(2-8(17)18)14-7-3-5(9(11,12)13)15-16(6)7/h1,3H,2H2,(H,17,18).
What are the key properties of 2-[7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid?
2-[7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid has a molecular weight of 279.61 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 82271653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).