3-bromopyrazolo[1,5-a]pyrimidine;4-bromo-2H-pyrrol-5-amine;3-(6-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine;3-[6-[(2R)-2-(4-fluorophenyl)pentyl]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine;methane;2H-pyrrol-5-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine

C61H73BBr2ClFN20O2 — CID 161451901

IUPAC3-bromopyrazolo[1,5-a]pyrimidine;4-bromo-2H-pyrrol-5-amine;3-(6-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine;3-[6-[(2R)-2-(4-fluorophenyl)pentyl]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine;methane;2H-pyrrol-5-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESBrc1cnn2cccnc12.C.C.C.C.CC1(C)OB(c2cnn3cccnc23)OC1(C)C.CCC[C@H](Cc1cc(-c2cnn3cccnc23)ncn1)c1ccc(F)cc1.Clc1cc(-c2cnn3cccnc23)ncn1.NC1=NCC=C1.NC1=NCC=C1Br
InChIInChI=1S/C21H20FN5.C12H16BN3O2.C10H6ClN5.C6H4BrN3.C4H5BrN2.C4H6N2.4CH4/c1-2-4-16(15-5-7-17(22)8-6-15)11-18-12-20(25-14-24-18)19-13-26-27-10-3-9-23-21(19)27;1-11(2)12(3,4)18-13(17-11)9-8-15-16-7-5-6-14-10(9)16;11-9-4-8(13-6-14-9)7-5-15-16-3-1-2-12-10(7)16;7-5-4-9-10-3-1-2-8-6(5)10;5-3-1-2-7-4(3)6;5-4-2-1-3-6-4;;;;/h3,5-10,12-14,16H,2,4,11H2,1H3;5-8H,1-4H3;1-6H;1-4H;1H,2H2,(H2,6,7);1-2H,3H2,(H2,5,6);4*1H4/t16-;;;;;;;;;/m1........./s1
InChIKeyWAQDPRGTIIYTER-NTFOZJTKSA-N
MW1343.46 g/mol
LogP11.91
Rot. Bonds8

About 3-bromopyrazolo[1,5-a]pyrimidine;4-bromo-2H-pyrrol-5-amine;3-(6-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine;3-[6-[(2R)-2-(4-fluorophenyl)pentyl]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine;methane;2H-pyrrol-5-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine

3-bromopyrazolo[1,5-a]pyrimidine;4-bromo-2H-pyrrol-5-amine;3-(6-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine;3-[6-[(2R)-2-(4-fluorophenyl)pentyl]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine;methane;2H-pyrrol-5-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 161451901) has the molecular formula C61H73BBr2ClFN20O2 and a molecular weight of 1343.46 g/mol. Its IUPAC name is 3-bromopyrazolo[1,5-a]pyrimidine;4-bromo-2H-pyrrol-5-amine;3-(6-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine;3-[6-[(2R)-2-(4-fluorophenyl)pentyl]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine;methane;2H-pyrrol-5-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromopyrazolo[1,5-a]pyrimidine;4-bromo-2H-pyrrol-5-amine;3-(6-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine;3-[6-[(2R)-2-(4-fluorophenyl)pentyl]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine;methane;2H-pyrrol-5-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID161451901
Molecular FormulaC61H73BBr2ClFN20O2
Molecular Weight1343.46 g/mol
Exact Mass1340.44
IUPAC Name3-bromopyrazolo[1,5-a]pyrimidine;4-bromo-2H-pyrrol-5-amine;3-(6-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine;3-[6-[(2R)-2-(4-fluorophenyl)pentyl]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine;methane;2H-pyrrol-5-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESBrc1cnn2cccnc12.C.C.C.C.CC1(C)OB(c2cnn3cccnc23)OC1(C)C.CCC[C@H](Cc1cc(-c2cnn3cccnc23)ncn1)c1ccc(F)cc1.Clc1cc(-c2cnn3cccnc23)ncn1.NC1=NCC=C1.NC1=NCC=C1Br
InChIInChI=1S/C21H20FN5.C12H16BN3O2.C10H6ClN5.C6H4BrN3.C4H5BrN2.C4H6N2.4CH4/c1-2-4-16(15-5-7-17(22)8-6-15)11-18-12-20(25-14-24-18)19-13-26-27-10-3-9-23-21(19)27;1-11(2)12(3,4)18-13(17-11)9-8-15-16-7-5-6-14-10(9)16;11-9-4-8(13-6-14-9)7-5-15-16-3-1-2-12-10(7)16;7-5-4-9-10-3-1-2-8-6(5)10;5-3-1-2-7-4(3)6;5-4-2-1-3-6-4;;;;/h3,5-10,12-14,16H,2,4,11H2,1H3;5-8H,1-4H3;1-6H;1-4H;1H,2H2,(H2,6,7);1-2H,3H2,(H2,5,6);4*1H4/t16-;;;;;;;;;/m1........./s1
InChIKeyWAQDPRGTIIYTER-NTFOZJTKSA-N
XLogP11.91
TPSA267.54 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001343.46
LogP ≤ 511.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 3-bromopyrazolo[1,5-a]pyrimidine;4-bromo-2H-pyrrol-5-amine;3-(6-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine;3-[6-[(2R)-2-(4-fluorophenyl)pentyl]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine;methane;2H-pyrrol-5-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

2-Bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 158030714
4-bromo-2-(2-chloro-4-pyridinyl)pyridine;5-bromo-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;(2-fluorophenyl)boronic acid;5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158065394
3-bromo-5-(2-chloro-4-pyridinyl)pyridine;5-bromo-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;5-[5-(2-chloro-4-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;(2-fluorophenyl)boronic acid;5-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158332818
5-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrimidin-2-amine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 159235988
5-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 159263833
3-bromo-5-tert-butyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-chloro-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-chloro-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 160437289
3-Bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 160775485
8-Bromo-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;carbanide;2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 160819800
8-Bromo-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;bis(7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
CID 161140450
2-Chloro-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
CID 161804912
5-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 161869303
3-Bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine;methane
CID 164173877

Frequently Asked Questions

What is the IUPAC name of 3-bromopyrazolo[1,5-a]pyrimidine;4-bromo-2H-pyrrol-5-amine;3-(6-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine;3-[6-[(2R)-2-(4-fluorophenyl)pentyl]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine;methane;2H-pyrrol-5-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromopyrazolo[1,5-a]pyrimidine;4-bromo-2H-pyrrol-5-amine;3-(6-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine;3-[6-[(2R)-2-(4-fluorophenyl)pentyl]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine;methane;2H-pyrrol-5-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine (CID 161451901) is 3-bromopyrazolo[1,5-a]pyrimidine;4-bromo-2H-pyrrol-5-amine;3-(6-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine;3-[6-[(2R)-2-(4-fluorophenyl)pentyl]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine;methane;2H-pyrrol-5-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromopyrazolo[1,5-a]pyrimidine;4-bromo-2H-pyrrol-5-amine;3-(6-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine;3-[6-[(2R)-2-(4-fluorophenyl)pentyl]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine;methane;2H-pyrrol-5-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromopyrazolo[1,5-a]pyrimidine;4-bromo-2H-pyrrol-5-amine;3-(6-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine;3-[6-[(2R)-2-(4-fluorophenyl)pentyl]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine;methane;2H-pyrrol-5-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine is Brc1cnn2cccnc12.C.C.C.C.CC1(C)OB(c2cnn3cccnc23)OC1(C)C.CCC[C@H](Cc1cc(-c2cnn3cccnc23)ncn1)c1ccc(F)cc1.Clc1cc(-c2cnn3cccnc23)ncn1.NC1=NCC=C1.NC1=NCC=C1Br.
What is the InChIKey of 3-bromopyrazolo[1,5-a]pyrimidine;4-bromo-2H-pyrrol-5-amine;3-(6-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine;3-[6-[(2R)-2-(4-fluorophenyl)pentyl]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine;methane;2H-pyrrol-5-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WAQDPRGTIIYTER-NTFOZJTKSA-N. The full InChI is InChI=1S/C21H20FN5.C12H16BN3O2.C10H6ClN5.C6H4BrN3.C4H5BrN2.C4H6N2.4CH4/c1-2-4-16(15-5-7-17(22)8-6-15)11-18-12-20(25-14-24-18)19-13-26-27-10-3-9-23-21(19)27;1-11(2)12(3,4)18-13(17-11)9-8-15-16-7-5-6-14-10(9)16;11-9-4-8(13-6-14-9)7-5-15-16-3-1-2-12-10(7)16;7-5-4-9-10-3-1-2-8-6(5)10;5-3-1-2-7-4(3)6;5-4-2-1-3-6-4;;;;/h3,5-10,12-14,16H,2,4,11H2,1H3;5-8H,1-4H3;1-6H;1-4H;1H,2H2,(H2,6,7);1-2H,3H2,(H2,5,6);4*1H4/t16-;;;;;;;;;/m1........./s1.
What are the key properties of 3-bromopyrazolo[1,5-a]pyrimidine;4-bromo-2H-pyrrol-5-amine;3-(6-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine;3-[6-[(2R)-2-(4-fluorophenyl)pentyl]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine;methane;2H-pyrrol-5-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine?
3-bromopyrazolo[1,5-a]pyrimidine;4-bromo-2H-pyrrol-5-amine;3-(6-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine;3-[6-[(2R)-2-(4-fluorophenyl)pentyl]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine;methane;2H-pyrrol-5-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 1343.46 g/mol, XLogP of 11.91, 8 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyrazolo[1,5-a]pyrimidine;4-bromo-2H-pyrrol-5-amine;3-(6-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine;3-[6-[(2R)-2-(4-fluorophenyl)pentyl]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine;methane;2H-pyrrol-5-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 161451901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).