7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C11H8F3N3O2 — CID 142491487

IUPAC7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2ccnn2c1C1(C(F)(F)F)CC1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)10(2-3-10)8-6(9(18)19)5-15-7-1-4-16-17(7)8/h1,4-5H,2-3H2,(H,18,19)
InChIKeyVQFRIZVMCHAWAN-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.02
Rot. Bonds2

About 7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 142491487) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID142491487
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2ccnn2c1C1(C(F)(F)F)CC1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)10(2-3-10)8-6(9(18)19)5-15-7-1-4-16-17(7)8/h1,4-5H,2-3H2,(H,18,19)
InChIKeyVQFRIZVMCHAWAN-UHFFFAOYSA-N
XLogP2.02
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 1096391
5,7-Dimethylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 71757511
7-Methylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 39000065
2-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 2768067
7-Cyclohexylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958163
7-(Difluoromethyl)pyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 45602094
7-Tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 84128343
5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 19588394
Ethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 50896509
2-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 68538366
2-[4-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 69222483
2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82271876

Frequently Asked Questions

What is the IUPAC name of 7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 142491487) is 7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is O=C(O)c1cnc2ccnn2c1C1(C(F)(F)F)CC1.
What is the InChIKey of 7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is VQFRIZVMCHAWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)10(2-3-10)8-6(9(18)19)5-15-7-1-4-16-17(7)8/h1,4-5H,2-3H2,(H,18,19).
What are the key properties of 7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 271.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 142491487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).