5-(4-imidazol-1-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C17H9F3N6 — CID 4773526

IUPAC5-(4-imidazol-1-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(C(F)(F)F)cc(-c3ccc(-n4ccnc4)cc3)nc12
InChIInChI=1S/C17H9F3N6/c18-17(19,20)15-7-14(24-16-12(8-21)9-23-26(15)16)11-1-3-13(4-2-11)25-6-5-22-10-25/h1-7,9-10H
InChIKeyGQNFVMBBHCNZDF-UHFFFAOYSA-N
MW354.30 g/mol
LogP3.47
Rot. Bonds2

About 5-(4-imidazol-1-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-(4-imidazol-1-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 4773526) has the molecular formula C17H9F3N6 and a molecular weight of 354.30 g/mol. Its IUPAC name is 5-(4-imidazol-1-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-imidazol-1-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID4773526
Molecular FormulaC17H9F3N6
Molecular Weight354.30 g/mol
Exact Mass354.08
IUPAC Name5-(4-imidazol-1-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(C(F)(F)F)cc(-c3ccc(-n4ccnc4)cc3)nc12
InChIInChI=1S/C17H9F3N6/c18-17(19,20)15-7-14(24-16-12(8-21)9-23-26(15)16)11-1-3-13(4-2-11)25-6-5-22-10-25/h1-7,9-10H
InChIKeyGQNFVMBBHCNZDF-UHFFFAOYSA-N
XLogP3.47
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-imidazol-1-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-(4-imidazol-1-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 4773526) is 5-(4-imidazol-1-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-(4-imidazol-1-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-(4-imidazol-1-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(C(F)(F)F)cc(-c3ccc(-n4ccnc4)cc3)nc12.
What is the InChIKey of 5-(4-imidazol-1-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is GQNFVMBBHCNZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N6/c18-17(19,20)15-7-14(24-16-12(8-21)9-23-26(15)16)11-1-3-13(4-2-11)25-6-5-22-10-25/h1-7,9-10H.
What are the key properties of 5-(4-imidazol-1-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-(4-imidazol-1-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 354.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-imidazol-1-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 4773526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).