7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine

C18H15BrF3N7 — CID 59646944

IUPAC7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cc2ccnn2-c2ncccc2Br)ncn2nc(C(F)(F)F)nc12
InChIInChI=1S/C18H15BrF3N7/c1-2-4-12-14(24-10-28-15(12)26-17(27-28)18(20,21)22)9-11-6-8-25-29(11)16-13(19)5-3-7-23-16/h3,5-8,10H,2,4,9H2,1H3
InChIKeyWPYPWSYUFJECHE-UHFFFAOYSA-N
MW466.27 g/mol
LogP4.03
Rot. Bonds5

About 7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine

7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 59646944) has the molecular formula C18H15BrF3N7 and a molecular weight of 466.27 g/mol. Its IUPAC name is 7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID59646944
Molecular FormulaC18H15BrF3N7
Molecular Weight466.27 g/mol
Exact Mass465.05
IUPAC Name7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cc2ccnn2-c2ncccc2Br)ncn2nc(C(F)(F)F)nc12
InChIInChI=1S/C18H15BrF3N7/c1-2-4-12-14(24-10-28-15(12)26-17(27-28)18(20,21)22)9-11-6-8-25-29(11)16-13(19)5-3-7-23-16/h3,5-8,10H,2,4,9H2,1H3
InChIKeyWPYPWSYUFJECHE-UHFFFAOYSA-N
XLogP4.03
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.27
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine (CID 59646944) is 7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(Cc2ccnn2-c2ncccc2Br)ncn2nc(C(F)(F)F)nc12.
What is the InChIKey of 7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is WPYPWSYUFJECHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF3N7/c1-2-4-12-14(24-10-28-15(12)26-17(27-28)18(20,21)22)9-11-6-8-25-29(11)16-13(19)5-3-7-23-16/h3,5-8,10H,2,4,9H2,1H3.
What are the key properties of 7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 466.27 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 59646944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).