1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide

C8H6BrN5O — CID 66318435

IUPAC1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ncncc2Br)n1
InChIInChI=1S/C8H6BrN5O/c9-5-3-11-4-12-8(5)14-2-1-6(13-14)7(10)15/h1-4H,(H2,10,15)
InChIKeyYVZLKAXFTRCSCG-UHFFFAOYSA-N
MW268.07 g/mol
LogP0.52
Rot. Bonds2

About 1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide

1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide (PubChem CID 66318435) has the molecular formula C8H6BrN5O and a molecular weight of 268.07 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide
PubChem CID66318435
Molecular FormulaC8H6BrN5O
Molecular Weight268.07 g/mol
Exact Mass266.98
IUPAC Name1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ncncc2Br)n1
InChIInChI=1S/C8H6BrN5O/c9-5-3-11-4-12-8(5)14-2-1-6(13-14)7(10)15/h1-4H,(H2,10,15)
InChIKeyYVZLKAXFTRCSCG-UHFFFAOYSA-N
XLogP0.52
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide
CID 107346451
1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide
CID 64780351
1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 106877646
1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide
CID 80868436
1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide
CID 64780779
1-[6-(aminomethyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 115487131
1-[4-(aminomethyl)-3-bromophenyl]pyrazole-3-carboxamide
CID 107275115
1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604
1-methylpyrazole-3-carboxamide
CID 13464586
1-(4-carbamothioylpyridazin-3-yl)pyrazole-3-carboxamide
CID 80511555
1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 79072535

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide (CID 66318435) is 1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide is NC(=O)c1ccn(-c2ncncc2Br)n1.
What is the InChIKey of 1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is YVZLKAXFTRCSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN5O/c9-5-3-11-4-12-8(5)14-2-1-6(13-14)7(10)15/h1-4H,(H2,10,15).
What are the key properties of 1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide?
1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 268.07 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 66318435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).