2-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidine

C10H10F3N3 — CID 139608467

IUPAC2-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)CCCc1cc2ncccn2n1
InChIInChI=1S/C10H10F3N3/c11-10(12,13)4-1-3-8-7-9-14-5-2-6-16(9)15-8/h2,5-7H,1,3-4H2
InChIKeyWNAJICPKXFBHCS-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.61
Rot. Bonds3

About 2-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidine

2-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 139608467) has the molecular formula C10H10F3N3 and a molecular weight of 229.21 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidine
PubChem CID139608467
Molecular FormulaC10H10F3N3
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name2-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)CCCc1cc2ncccn2n1
InChIInChI=1S/C10H10F3N3/c11-10(12,13)4-1-3-8-7-9-14-5-2-6-16(9)15-8/h2,5-7H,1,3-4H2
InChIKeyWNAJICPKXFBHCS-UHFFFAOYSA-N
XLogP2.61
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.61
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, 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
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
3-Bromo-5-methyl-7-propylpyrazolo[1,5-a]pyrimidine
CID 20324962
3-Bromo-5,7-diethylpyrazolo[1,5-a]pyrimidine
CID 20324963

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidine (CID 139608467) is 2-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)CCCc1cc2ncccn2n1.
What is the InChIKey of 2-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WNAJICPKXFBHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c11-10(12,13)4-1-3-8-7-9-14-5-2-6-16(9)15-8/h2,5-7H,1,3-4H2.
What are the key properties of 2-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidine?
2-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 229.21 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 139608467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).