1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide

C10H9BrClN5O — CID 79072535

IUPAC1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2nc(Cl)ncc2Br)n1
InChIInChI=1S/C10H9BrClN5O/c1-16(2)9(18)7-3-4-17(15-7)8-6(11)5-13-10(12)14-8/h3-5H,1-2H3
InChIKeyXCKGANNWLYGDIB-UHFFFAOYSA-N
MW330.57 g/mol
LogP1.78
Rot. Bonds2

About 1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide

1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 79072535) has the molecular formula C10H9BrClN5O and a molecular weight of 330.57 g/mol. Its IUPAC name is 1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID79072535
Molecular FormulaC10H9BrClN5O
Molecular Weight330.57 g/mol
Exact Mass328.97
IUPAC Name1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2nc(Cl)ncc2Br)n1
InChIInChI=1S/C10H9BrClN5O/c1-16(2)9(18)7-3-4-17(15-7)8-6(11)5-13-10(12)14-8/h3-5H,1-2H3
InChIKeyXCKGANNWLYGDIB-UHFFFAOYSA-N
XLogP1.78
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide (CID 79072535) is 1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(-c2nc(Cl)ncc2Br)n1.
What is the InChIKey of 1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is XCKGANNWLYGDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN5O/c1-16(2)9(18)7-3-4-17(15-7)8-6(11)5-13-10(12)14-8/h3-5H,1-2H3.
What are the key properties of 1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide?
1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 330.57 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 79072535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).