N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H15BrN6OS — CID 19458584

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C17H15BrN6OS/c1-22(10-14-12(18)9-20-23(14)2)17(25)11-8-21-24-13(5-6-19-16(11)24)15-4-3-7-26-15/h3-9H,10H2,1-2H3
InChIKeySZRYBAOPABHSHX-UHFFFAOYSA-N
MW431.32 g/mol
LogP3.23
Rot. Bonds4

About N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19458584) has the molecular formula C17H15BrN6OS and a molecular weight of 431.32 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19458584
Molecular FormulaC17H15BrN6OS
Molecular Weight431.32 g/mol
Exact Mass430.02
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)c1cnn2c(-c3cccs3)ccnc12
InChIInChI=1S/C17H15BrN6OS/c1-22(10-14-12(18)9-20-23(14)2)17(25)11-8-21-24-13(5-6-19-16(11)24)15-4-3-7-26-15/h3-9H,10H2,1-2H3
InChIKeySZRYBAOPABHSHX-UHFFFAOYSA-N
XLogP3.23
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19458584) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(Cc1c(Br)cnn1C)C(=O)c1cnn2c(-c3cccs3)ccnc12.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SZRYBAOPABHSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN6OS/c1-22(10-14-12(18)9-20-23(14)2)17(25)11-8-21-24-13(5-6-19-16(11)24)15-4-3-7-26-15/h3-9H,10H2,1-2H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 431.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19458584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).