2-methyl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C9H5F3N4 — CID 175873064

IUPAC2-methyl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1nn2cc(C#N)cnc2c1C(F)(F)F
InChIInChI=1S/C9H5F3N4/c1-5-7(9(10,11)12)8-14-3-6(2-13)4-16(8)15-5/h3-4H,1H3
InChIKeyBSCRZCRIBORQOO-UHFFFAOYSA-N
MW226.16 g/mol
LogP1.93
Rot. Bonds

About 2-methyl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

2-methyl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 175873064) has the molecular formula C9H5F3N4 and a molecular weight of 226.16 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID175873064
Molecular FormulaC9H5F3N4
Molecular Weight226.16 g/mol
Exact Mass226.05
IUPAC Name2-methyl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1nn2cc(C#N)cnc2c1C(F)(F)F
InChIInChI=1S/C9H5F3N4/c1-5-7(9(10,11)12)8-14-3-6(2-13)4-16(8)15-5/h3-4H,1H3
InChIKeyBSCRZCRIBORQOO-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 2-methyl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 175873064) is 2-methyl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is Cc1nn2cc(C#N)cnc2c1C(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is BSCRZCRIBORQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N4/c1-5-7(9(10,11)12)8-14-3-6(2-13)4-16(8)15-5/h3-4H,1H3.
What are the key properties of 2-methyl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
2-methyl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-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 2-methyl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 175873064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).