N-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C14H11BrN4O — CID 110862990

IUPACN-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc3ccnn23)c(Br)c1
InChIInChI=1S/C14H11BrN4O/c1-9-2-3-11(10(15)8-9)18-14(20)12-4-6-16-13-5-7-17-19(12)13/h2-8H,1H3,(H,18,20)
InChIKeyWSEYUNUDPOIATG-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.05
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 110862990) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID110862990
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC NameN-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc3ccnn23)c(Br)c1
InChIInChI=1S/C14H11BrN4O/c1-9-2-3-11(10(15)8-9)18-14(20)12-4-6-16-13-5-7-17-19(12)13/h2-8H,1H3,(H,18,20)
InChIKeyWSEYUNUDPOIATG-UHFFFAOYSA-N
XLogP3.05
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110858618
N-(2,4-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 84575460
N-(2-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110858108
4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62153202
N-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide
CID 55600384
N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
CID 47083946
N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
CID 110862940
N-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110864014
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)pyridine-4-carboxamide
CID 109176083
N-(2-bromo-4-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384019
N-(2-bromo-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249495

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 110862990) is N-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is Cc1ccc(NC(=O)c2ccnc3ccnn23)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is WSEYUNUDPOIATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-9-2-3-11(10(15)8-9)18-14(20)12-4-6-16-13-5-7-17-19(12)13/h2-8H,1H3,(H,18,20).
What are the key properties of N-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 331.17 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 110862990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).