3-[3-[(5-bromopyrimidin-2-yl)amino]pyrazol-1-yl]propanamide

C10H11BrN6O — CID 56792203

IUPAC3-[3-[(5-bromopyrimidin-2-yl)amino]pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1ccc(Nc2ncc(Br)cn2)n1
InChIInChI=1S/C10H11BrN6O/c11-7-5-13-10(14-6-7)15-9-2-4-17(16-9)3-1-8(12)18/h2,4-6H,1,3H2,(H2,12,18)(H,13,14,15,16)
InChIKeyHLXASCVEUDFVIH-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.05
Rot. Bonds5

About 3-[3-[(5-bromopyrimidin-2-yl)amino]pyrazol-1-yl]propanamide

3-[3-[(5-bromopyrimidin-2-yl)amino]pyrazol-1-yl]propanamide (PubChem CID 56792203) has the molecular formula C10H11BrN6O and a molecular weight of 311.14 g/mol. Its IUPAC name is 3-[3-[(5-bromopyrimidin-2-yl)amino]pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[(5-bromopyrimidin-2-yl)amino]pyrazol-1-yl]propanamide
PubChem CID56792203
Molecular FormulaC10H11BrN6O
Molecular Weight311.14 g/mol
Exact Mass310.02
IUPAC Name3-[3-[(5-bromopyrimidin-2-yl)amino]pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1ccc(Nc2ncc(Br)cn2)n1
InChIInChI=1S/C10H11BrN6O/c11-7-5-13-10(14-6-7)15-9-2-4-17(16-9)3-1-8(12)18/h2,4-6H,1,3H2,(H2,12,18)(H,13,14,15,16)
InChIKeyHLXASCVEUDFVIH-UHFFFAOYSA-N
XLogP1.05
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 53466961
5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467182
6-(Azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine
CID 53467183
5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467184
5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467187
5-bromo-4-N-methyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467620
5-bromo-4-N-(cyclopropylmethyl)-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467625
1-Ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea
CID 134134239
US9932325, Example 158
CID 132244727
4-bromo-1-(pyrimidin-2-yl)-1H-pyrazol-3-amine
CID 61176054
5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 23400189
3-(4-chloropyrazol-1-yl)-N-pyrimidin-2-ylpropanamide
CID 35322188

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-bromopyrimidin-2-yl)amino]pyrazol-1-yl]propanamide?
The IUPAC name of 3-[3-[(5-bromopyrimidin-2-yl)amino]pyrazol-1-yl]propanamide (CID 56792203) is 3-[3-[(5-bromopyrimidin-2-yl)amino]pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[(5-bromopyrimidin-2-yl)amino]pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[3-[(5-bromopyrimidin-2-yl)amino]pyrazol-1-yl]propanamide is NC(=O)CCn1ccc(Nc2ncc(Br)cn2)n1.
What is the InChIKey of 3-[3-[(5-bromopyrimidin-2-yl)amino]pyrazol-1-yl]propanamide?
The InChIKey is HLXASCVEUDFVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN6O/c11-7-5-13-10(14-6-7)15-9-2-4-17(16-9)3-1-8(12)18/h2,4-6H,1,3H2,(H2,12,18)(H,13,14,15,16).
What are the key properties of 3-[3-[(5-bromopyrimidin-2-yl)amino]pyrazol-1-yl]propanamide?
3-[3-[(5-bromopyrimidin-2-yl)amino]pyrazol-1-yl]propanamide has a molecular weight of 311.14 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-bromopyrimidin-2-yl)amino]pyrazol-1-yl]propanamide is sourced from PubChem (CID 56792203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).