6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H13BrN6O — CID 17060258

IUPAC6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCn1cc(NC(=O)c2cnn3cc(Br)cnc23)cn1
InChIInChI=1S/C13H13BrN6O/c1-2-3-19-8-10(5-16-19)18-13(21)11-6-17-20-7-9(14)4-15-12(11)20/h4-8H,2-3H2,1H3,(H,18,21)
InChIKeyLVGTYLIIPYOYIX-UHFFFAOYSA-N
MW349.19 g/mol
LogP2.35
Rot. Bonds4

About 6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 17060258) has the molecular formula C13H13BrN6O and a molecular weight of 349.19 g/mol. Its IUPAC name is 6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID17060258
Molecular FormulaC13H13BrN6O
Molecular Weight349.19 g/mol
Exact Mass348.03
IUPAC Name6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCn1cc(NC(=O)c2cnn3cc(Br)cnc23)cn1
InChIInChI=1S/C13H13BrN6O/c1-2-3-19-8-10(5-16-19)18-13(21)11-6-17-20-7-9(14)4-15-12(11)20/h4-8H,2-3H2,1H3,(H,18,21)
InChIKeyLVGTYLIIPYOYIX-UHFFFAOYSA-N
XLogP2.35
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111432963
6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2984752
6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2978702
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110002377
6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 169087436
2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 54878147
2-bromo-N-(1-ethylpyrazol-4-yl)-5-methylbenzamide
CID 80979734
4-[[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500333
2-[4-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 138002036
6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166195009
3,5-dibromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 103908065

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 17060258) is 6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCn1cc(NC(=O)c2cnn3cc(Br)cnc23)cn1.
What is the InChIKey of 6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LVGTYLIIPYOYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN6O/c1-2-3-19-8-10(5-16-19)18-13(21)11-6-17-20-7-9(14)4-15-12(11)20/h4-8H,2-3H2,1H3,(H,18,21).
What are the key properties of 6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 349.19 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 17060258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).