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

C19H17BrF3N7 — CID 59646872

IUPAC7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cc2ccnn2-c2ncccc2Br)ncn2nc(CC(F)(F)F)nc12
InChIInChI=1S/C19H17BrF3N7/c1-2-4-13-15(25-11-29-17(13)27-16(28-29)10-19(21,22)23)9-12-6-8-26-30(12)18-14(20)5-3-7-24-18/h3,5-8,11H,2,4,9-10H2,1H3
InChIKeyGZNNHXHURHDZAH-UHFFFAOYSA-N
MW480.29 g/mol
LogP4.12
Rot. Bonds6

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

7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 59646872) has the molecular formula C19H17BrF3N7 and a molecular weight of 480.29 g/mol. Its IUPAC name is 7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID59646872
Molecular FormulaC19H17BrF3N7
Molecular Weight480.29 g/mol
Exact Mass479.07
IUPAC Name7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cc2ccnn2-c2ncccc2Br)ncn2nc(CC(F)(F)F)nc12
InChIInChI=1S/C19H17BrF3N7/c1-2-4-13-15(25-11-29-17(13)27-16(28-29)10-19(21,22)23)9-12-6-8-26-30(12)18-14(20)5-3-7-24-18/h3,5-8,11H,2,4,9-10H2,1H3
InChIKeyGZNNHXHURHDZAH-UHFFFAOYSA-N
XLogP4.12
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.29
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

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US10399985, Example 8
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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-(2,2,2-trifluoroethyl)-[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-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine (CID 59646872) is 7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethyl)-[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-(2,2,2-trifluoroethyl)-[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-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(Cc2ccnn2-c2ncccc2Br)ncn2nc(CC(F)(F)F)nc12.
What is the InChIKey of 7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is GZNNHXHURHDZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF3N7/c1-2-4-13-15(25-11-29-17(13)27-16(28-29)10-19(21,22)23)9-12-6-8-26-30(12)18-14(20)5-3-7-24-18/h3,5-8,11H,2,4,9-10H2,1H3.
What are the key properties of 7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
7-[[2-(3-bromo-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-2-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 480.29 g/mol, XLogP of 4.12, 6 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-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 59646872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).