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

C13H5ClF3N5 — CID 3808789

IUPAC6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3ncc(C(F)(F)F)cc3Cl)cnc12
InChIInChI=1S/C13H5ClF3N5/c14-10-1-9(13(15,16)17)5-19-11(10)8-3-20-12-7(2-18)4-21-22(12)6-8/h1,3-6H
InChIKeySFHZNXLQPHCDGF-UHFFFAOYSA-N
MW323.67 g/mol
LogP3.34
Rot. Bonds1

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

6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 3808789) has the molecular formula C13H5ClF3N5 and a molecular weight of 323.67 g/mol. Its IUPAC name is 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID3808789
Molecular FormulaC13H5ClF3N5
Molecular Weight323.67 g/mol
Exact Mass323.02
IUPAC Name6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2cc(-c3ncc(C(F)(F)F)cc3Cl)cnc12
InChIInChI=1S/C13H5ClF3N5/c14-10-1-9(13(15,16)17)5-19-11(10)8-3-20-12-7(2-18)4-21-22(12)6-8/h1,3-6H
InChIKeySFHZNXLQPHCDGF-UHFFFAOYSA-N
XLogP3.34
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.67
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 3808789) is 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2cc(-c3ncc(C(F)(F)F)cc3Cl)cnc12.
What is the InChIKey of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is SFHZNXLQPHCDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5ClF3N5/c14-10-1-9(13(15,16)17)5-19-11(10)8-3-20-12-7(2-18)4-21-22(12)6-8/h1,3-6H.
What are the key properties of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 323.67 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 3808789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).