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

C12H10F3N3O2 — CID 142491474

IUPAC2-methyl-7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1cc2ncc(C(=O)O)c(C3(C(F)(F)F)CC3)n2n1
InChIInChI=1S/C12H10F3N3O2/c1-6-4-8-16-5-7(10(19)20)9(18(8)17-6)11(2-3-11)12(13,14)15/h4-5H,2-3H2,1H3,(H,19,20)
InChIKeyJNXGJIRRRNTEMQ-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.33
Rot. Bonds2

About 2-methyl-7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-methyl-7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 142491474) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-methyl-7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID142491474
Molecular FormulaC12H10F3N3O2
Molecular Weight285.22 g/mol
Exact Mass285.07
IUPAC Name2-methyl-7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1cc2ncc(C(=O)O)c(C3(C(F)(F)F)CC3)n2n1
InChIInChI=1S/C12H10F3N3O2/c1-6-4-8-16-5-7(10(19)20)9(18(8)17-6)11(2-3-11)12(13,14)15/h4-5H,2-3H2,1H3,(H,19,20)
InChIKeyJNXGJIRRRNTEMQ-UHFFFAOYSA-N
XLogP2.33
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.33
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
2,7-Dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 2736303
5,7-Dimethylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 71757511
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-Ethyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 68537133
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-methyl-7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 142491474) is 2-methyl-7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-methyl-7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-methyl-7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1cc2ncc(C(=O)O)c(C3(C(F)(F)F)CC3)n2n1.
What is the InChIKey of 2-methyl-7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is JNXGJIRRRNTEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-6-4-8-16-5-7(10(19)20)9(18(8)17-6)11(2-3-11)12(13,14)15/h4-5H,2-3H2,1H3,(H,19,20).
What are the key properties of 2-methyl-7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-methyl-7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 285.22 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[1-(trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 142491474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).