5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C9H5F3N4 — CID 900194

IUPAC5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)n2ncc(C#N)c2n1
InChIInChI=1S/C9H5F3N4/c1-5-2-7(9(10,11)12)16-8(15-5)6(3-13)4-14-16/h2,4H,1H3
InChIKeyKPIFJBPVJMWWNP-UHFFFAOYSA-N
MW226.16 g/mol
LogP1.93
Rot. Bonds

About 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 900194) has the molecular formula C9H5F3N4 and a molecular weight of 226.16 g/mol. Its IUPAC name is 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID900194
Molecular FormulaC9H5F3N4
Molecular Weight226.16 g/mol
Exact Mass226.05
IUPAC Name5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)n2ncc(C#N)c2n1
InChIInChI=1S/C9H5F3N4/c1-5-2-7(9(10,11)12)16-8(15-5)6(3-13)4-14-16/h2,4H,1H3
InChIKeyKPIFJBPVJMWWNP-UHFFFAOYSA-N
XLogP1.93
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
5-amino-1-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazole-4-carbonitrile
CID 2317988
N'-(acetyloxy)-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboximidamide
CID 5715582
5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 2736143
2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-pyrimidinecarbonitrile
CID 2766549
7-Cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1485518
7-Amino-2-(tert-butyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819026
3,5,7-Trimethylpyrazolo[1,5-a]pyrimidine
CID 18684975
5,7-Dimethyl 3-fluoro pyrazolo[1,5-a]pyrimidine
CID 20324958

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 900194) is 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1cc(C(F)(F)F)n2ncc(C#N)c2n1.
What is the InChIKey of 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is KPIFJBPVJMWWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N4/c1-5-2-7(9(10,11)12)16-8(15-5)6(3-13)4-14-16/h2,4H,1H3.
What are the key properties of 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 226.16 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 900194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).