2-(2,2-difluoropropyl)pyrazolo[1,5-a]pyrimidine

C9H9F2N3 — CID 139608466

IUPAC2-(2,2-difluoropropyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(F)(F)Cc1cc2ncccn2n1
InChIInChI=1S/C9H9F2N3/c1-9(10,11)6-7-5-8-12-3-2-4-14(8)13-7/h2-5H,6H2,1H3
InChIKeyKSYIAAUHTYVKER-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.93
Rot. Bonds2

About 2-(2,2-difluoropropyl)pyrazolo[1,5-a]pyrimidine

2-(2,2-difluoropropyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 139608466) has the molecular formula C9H9F2N3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(2,2-difluoropropyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(2,2-difluoropropyl)pyrazolo[1,5-a]pyrimidine
PubChem CID139608466
Molecular FormulaC9H9F2N3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(2,2-difluoropropyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(F)(F)Cc1cc2ncccn2n1
InChIInChI=1S/C9H9F2N3/c1-9(10,11)6-7-5-8-12-3-2-4-14(8)13-7/h2-5H,6H2,1H3
InChIKeyKSYIAAUHTYVKER-UHFFFAOYSA-N
XLogP1.93
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
3-Bromo-5,7-dimethylpyrazolo(1,5-a)pyrimidine
CID 198235
Pyrazolo(1,5-a)pyrimidine, 3-chloro-5,7-dimethyl-
CID 206163
Pyrazolo(1.5-a)pyrimidine, 5,7-dimethyl-3-iodo-
CID 206164
2,3-dimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201365
5-Methylpyrazolo[1,5-a]pyrimidine
CID 12581392
2-Methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1480446
7-Cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1485518
7-Cyclopropyl-3-methylpyrazolo[1,5-a]pyrimidine
CID 1485522
3,5,7-Trimethylpyrazolo[1,5-a]pyrimidine
CID 18684975
5,7-Dimethyl 3-fluoro pyrazolo[1,5-a]pyrimidine
CID 20324958
3-Bromo-7-ethyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 20324960

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(2,2-difluoropropyl)pyrazolo[1,5-a]pyrimidine (CID 139608466) is 2-(2,2-difluoropropyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(2,2-difluoropropyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(2,2-difluoropropyl)pyrazolo[1,5-a]pyrimidine is CC(F)(F)Cc1cc2ncccn2n1.
What is the InChIKey of 2-(2,2-difluoropropyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is KSYIAAUHTYVKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3/c1-9(10,11)6-7-5-8-12-3-2-4-14(8)13-7/h2-5H,6H2,1H3.
What are the key properties of 2-(2,2-difluoropropyl)pyrazolo[1,5-a]pyrimidine?
2-(2,2-difluoropropyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 197.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 139608466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).