3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C14H10BrN5O3 — CID 19462119

IUPAC3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)c1nn2cccnc2c1Br
InChIInChI=1S/C14H10BrN5O3/c1-8-7-9(20(22)23)3-4-10(8)17-14(21)12-11(15)13-16-5-2-6-19(13)18-12/h2-7H,1H3,(H,17,21)
InChIKeyMZGOLTOUEFWPGA-UHFFFAOYSA-N
MW376.17 g/mol
LogP2.96
Rot. Bonds3

About 3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19462119) has the molecular formula C14H10BrN5O3 and a molecular weight of 376.17 g/mol. Its IUPAC name is 3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19462119
Molecular FormulaC14H10BrN5O3
Molecular Weight376.17 g/mol
Exact Mass375.00
IUPAC Name3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)c1nn2cccnc2c1Br
InChIInChI=1S/C14H10BrN5O3/c1-8-7-9(20(22)23)3-4-10(8)17-14(21)12-11(15)13-16-5-2-6-19(13)18-12/h2-7H,1H3,(H,17,21)
InChIKeyMZGOLTOUEFWPGA-UHFFFAOYSA-N
XLogP2.96
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.17
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(2-hydroxy-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462344
3-bromo-N-(4-methyl-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462088
3-bromo-N-(4-chloro-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462102
3-bromo-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462278
3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462067
3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462308
3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462053
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
4,5-dibromo-N-(2-methyl-4-nitrophenyl)thiophene-2-carboxamide
CID 19205255
4-chloro-1-methyl-N-(2-methyl-4-nitrophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267913
3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 60651020

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19462119) is 3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)c1nn2cccnc2c1Br.
What is the InChIKey of 3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MZGOLTOUEFWPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5O3/c1-8-7-9(20(22)23)3-4-10(8)17-14(21)12-11(15)13-16-5-2-6-19(13)18-12/h2-7H,1H3,(H,17,21).
What are the key properties of 3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 376.17 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methyl-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19462119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).