6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H13BrN4O — CID 2980953

IUPAC6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H13BrN4O/c1-2-10-5-3-4-6-12(10)18-15(21)13-7-14-17-8-11(16)9-20(14)19-13/h3-9H,2H2,1H3,(H,18,21)
InChIKeyWXZIOXZQBZKBOW-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.31
Rot. Bonds3

About 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2980953) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2980953
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H13BrN4O/c1-2-10-5-3-4-6-12(10)18-15(21)13-7-14-17-8-11(16)9-20(14)19-13/h3-9H,2H2,1H3,(H,18,21)
InChIKeyWXZIOXZQBZKBOW-UHFFFAOYSA-N
XLogP3.31
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bezuclastinib
CID 75593308
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377630
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
CU-CPT-8m
CID 15042086
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776704
4-[4-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide
CID 137348547
4-(azetidine-1-carbonyl)-1-methyl-N-(6-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377305
4-(Azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-bromo-2-phenyl-imidazo[1,2-a]pyridin-7-yl)-amide
CID 51034712
US10774086, Example 2
CID 134551579

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2980953) is 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1ccccc1NC(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WXZIOXZQBZKBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-2-10-5-3-4-6-12(10)18-15(21)13-7-14-17-8-11(16)9-20(14)19-13/h3-9H,2H2,1H3,(H,18,21).
What are the key properties of 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-ethylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2980953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).