7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C9H7F2N3O2 — CID 842761

IUPAC7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1cc(C(F)F)n2ncc(C(=O)O)c2n1
InChIInChI=1S/C9H7F2N3O2/c1-4-2-6(7(10)11)14-8(13-4)5(3-12-14)9(15)16/h2-3,7H,1H3,(H,15,16)
InChIKeyYYIJNWNMCIXAJD-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.67
Rot. Bonds2

About 7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 842761) has the molecular formula C9H7F2N3O2 and a molecular weight of 227.17 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID842761
Molecular FormulaC9H7F2N3O2
Molecular Weight227.17 g/mol
Exact Mass227.05
IUPAC Name7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1cc(C(F)F)n2ncc(C(=O)O)c2n1
InChIInChI=1S/C9H7F2N3O2/c1-4-2-6(7(10)11)14-8(13-4)5(3-12-14)9(15)16/h2-3,7H,1H3,(H,15,16)
InChIKeyYYIJNWNMCIXAJD-UHFFFAOYSA-N
XLogP1.67
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-Dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 744038
1-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethan-1-one
CID 83877102
N'-(acetyloxy)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide
CID 5715582
[7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl](piperidin-1-yl)methanone
CID 1093978
5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 4572525
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
2-(Methylsulfanyl)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 2821855
Ethyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 843507
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 804063
6-Acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 2981519
5,7-Dimethylpyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 17593557

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 842761) is 7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Cc1cc(C(F)F)n2ncc(C(=O)O)c2n1.
What is the InChIKey of 7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is YYIJNWNMCIXAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O2/c1-4-2-6(7(10)11)14-8(13-4)5(3-12-14)9(15)16/h2-3,7H,1H3,(H,15,16).
What are the key properties of 7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 227.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 842761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).