3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H23BrN4O — CID 19462144

IUPAC3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)c2nn3cccnc3c2Br)cc1
InChIInChI=1S/C20H23BrN4O/c1-4-13(3)14-7-9-15(10-8-14)16(5-2)23-20(26)18-17(21)19-22-11-6-12-25(19)24-18/h6-13,16H,4-5H2,1-3H3,(H,23,26)
InChIKeyGANCGVXUVXEOLI-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.89
Rot. Bonds6

About 3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19462144) has the molecular formula C20H23BrN4O and a molecular weight of 415.34 g/mol. Its IUPAC name is 3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19462144
Molecular FormulaC20H23BrN4O
Molecular Weight415.34 g/mol
Exact Mass414.11
IUPAC Name3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)c2nn3cccnc3c2Br)cc1
InChIInChI=1S/C20H23BrN4O/c1-4-13(3)14-7-9-15(10-8-14)16(5-2)23-20(26)18-17(21)19-22-11-6-12-25(19)24-18/h6-13,16H,4-5H2,1-3H3,(H,23,26)
InChIKeyGANCGVXUVXEOLI-UHFFFAOYSA-N
XLogP4.89
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51392244
3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462327
4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide
CID 19262770
3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462168
3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462191
N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51851731
N-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416921
N-[1-(4-tert-butylphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824657
4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480995
3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462048
3-bromo-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146145687
3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462110

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19462144) is 3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCC(C)c1ccc(C(CC)NC(=O)c2nn3cccnc3c2Br)cc1.
What is the InChIKey of 3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GANCGVXUVXEOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O/c1-4-13(3)14-7-9-15(10-8-14)16(5-2)23-20(26)18-17(21)19-22-11-6-12-25(19)24-18/h6-13,16H,4-5H2,1-3H3,(H,23,26).
What are the key properties of 3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 415.34 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19462144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).