3-bromo-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H14BrF3N6O2 — CID 3660026

IUPAC3-bromo-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br
InChIInChI=1S/C18H14BrF3N6O2/c19-14-15(17(29)24-4-2-6-27-7-5-23-10-27)26-28-13(18(20,21)22)9-11(25-16(14)28)12-3-1-8-30-12/h1,3,5,7-10H,2,4,6H2,(H,24,29)
InChIKeyOTHFQWLGAFVRBV-UHFFFAOYSA-N
MW483.25 g/mol
LogP3.79
Rot. Bonds6

About 3-bromo-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-bromo-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3660026) has the molecular formula C18H14BrF3N6O2 and a molecular weight of 483.25 g/mol. Its IUPAC name is 3-bromo-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3660026
Molecular FormulaC18H14BrF3N6O2
Molecular Weight483.25 g/mol
Exact Mass482.03
IUPAC Name3-bromo-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br
InChIInChI=1S/C18H14BrF3N6O2/c19-14-15(17(29)24-4-2-6-27-7-5-23-10-27)26-28-13(18(20,21)22)9-11(25-16(14)28)12-3-1-8-30-12/h1,3,5,7-10H,2,4,6H2,(H,24,29)
InChIKeyOTHFQWLGAFVRBV-UHFFFAOYSA-N
XLogP3.79
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-bromo-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3660026) is 3-bromo-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-bromo-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-bromo-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCCCn1ccnc1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br.
What is the InChIKey of 3-bromo-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OTHFQWLGAFVRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF3N6O2/c19-14-15(17(29)24-4-2-6-27-7-5-23-10-27)26-28-13(18(20,21)22)9-11(25-16(14)28)12-3-1-8-30-12/h1,3,5,7-10H,2,4,6H2,(H,24,29).
What are the key properties of 3-bromo-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-bromo-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 483.25 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3660026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).