5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H15BrF3N5O — CID 2884077

IUPAC5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Br)cc1)N2
InChIInChI=1S/C19H15BrF3N5O/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/h1-7,9-10,14,16,26H,8H2,(H,25,29)
InChIKeyXCKMOLMBDSYSPJ-UHFFFAOYSA-N
MW466.26 g/mol
LogP4.95
Rot. Bonds3

About 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2884077) has the molecular formula C19H15BrF3N5O and a molecular weight of 466.26 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2884077
Molecular FormulaC19H15BrF3N5O
Molecular Weight466.26 g/mol
Exact Mass465.04
IUPAC Name5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Br)cc1)N2
InChIInChI=1S/C19H15BrF3N5O/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/h1-7,9-10,14,16,26H,8H2,(H,25,29)
InChIKeyXCKMOLMBDSYSPJ-UHFFFAOYSA-N
XLogP4.95
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.26
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromophenyl)-3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4216385
5-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4614575
6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2980953
N-(6-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyridin-3-yl)benzamide
CID 17748379
3-bromo-5-phenyl-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2058816
5-(4-bromophenyl)-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3123059
6-bromo-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256738
5-(4-methylphenyl)-N-(pyridin-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2871076
(5R,7S)-N-[(4-fluorophenyl)methyl]-5-(5-methyl-2-pyridinyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136234640
(5R,7S)-7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136234647
5-(4-Bromophenyl)-2-(morpholin-4-ylcarbonyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 3133878
5-(4-bromophenyl)-N-cyclopentyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3133879

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2884077) is 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cccnc1)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Br)cc1)N2.
What is the InChIKey of 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XCKMOLMBDSYSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF3N5O/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/h1-7,9-10,14,16,26H,8H2,(H,25,29).
What are the key properties of 5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(4-bromophenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 466.26 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 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)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2884077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).