5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H11BrF3N5O — CID 1111199

IUPAC5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H11BrF3N5O/c20-12-5-3-11(4-6-12)14-8-16(19(21,22)23)28-17(26-14)9-15(27-28)18(29)25-13-2-1-7-24-10-13/h1-10H,(H,25,29)
InChIKeyXEOVQRNEIIGRQT-UHFFFAOYSA-N
MW462.23 g/mol
LogP4.82
Rot. Bonds3

About 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1111199) has the molecular formula C19H11BrF3N5O and a molecular weight of 462.23 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1111199
Molecular FormulaC19H11BrF3N5O
Molecular Weight462.23 g/mol
Exact Mass461.01
IUPAC Name5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H11BrF3N5O/c20-12-5-3-11(4-6-12)14-8-16(19(21,22)23)28-17(26-14)9-15(27-28)18(29)25-13-2-1-7-24-10-13/h1-10H,(H,25,29)
InChIKeyXEOVQRNEIIGRQT-UHFFFAOYSA-N
XLogP4.82
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.23
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1111199) is 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cccnc1)c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XEOVQRNEIIGRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrF3N5O/c20-12-5-3-11(4-6-12)14-8-16(19(21,22)23)28-17(26-14)9-15(27-28)18(29)25-13-2-1-7-24-10-13/h1-10H,(H,25,29).
What are the key properties of 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 462.23 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1111199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).