2-(4-bromophenoxy)-N-(5-methyl-2-pyrimidin-2-ylpyrazol-3-yl)propanamide

C17H16BrN5O2 — CID 71856519

IUPAC2-(4-bromophenoxy)-N-(5-methyl-2-pyrimidin-2-ylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Oc2ccc(Br)cc2)n(-c2ncccn2)n1
InChIInChI=1S/C17H16BrN5O2/c1-11-10-15(23(22-11)17-19-8-3-9-20-17)21-16(24)12(2)25-14-6-4-13(18)5-7-14/h3-10,12H,1-2H3,(H,21,24)
InChIKeyBKKTXNPYRCUDSU-UHFFFAOYSA-N
MW402.25 g/mol
LogP3.14
Rot. Bonds5

About 2-(4-bromophenoxy)-N-(5-methyl-2-pyrimidin-2-ylpyrazol-3-yl)propanamide

2-(4-bromophenoxy)-N-(5-methyl-2-pyrimidin-2-ylpyrazol-3-yl)propanamide (PubChem CID 71856519) has the molecular formula C17H16BrN5O2 and a molecular weight of 402.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(5-methyl-2-pyrimidin-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(5-methyl-2-pyrimidin-2-ylpyrazol-3-yl)propanamide
PubChem CID71856519
Molecular FormulaC17H16BrN5O2
Molecular Weight402.25 g/mol
Exact Mass401.05
IUPAC Name2-(4-bromophenoxy)-N-(5-methyl-2-pyrimidin-2-ylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Oc2ccc(Br)cc2)n(-c2ncccn2)n1
InChIInChI=1S/C17H16BrN5O2/c1-11-10-15(23(22-11)17-19-8-3-9-20-17)21-16(24)12(2)25-14-6-4-13(18)5-7-14/h3-10,12H,1-2H3,(H,21,24)
InChIKeyBKKTXNPYRCUDSU-UHFFFAOYSA-N
XLogP3.14
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide
CID 55479906
2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 55548698
(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-(3-methylphenoxy)propanamide
CID 51937121
(2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide
CID 41165397
2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
CID 51164070
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2970521
(2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7346463
2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17190941
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
CID 112823646
(2S)-2-(4-bromophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 7376118
2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide
CID 46525134

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(5-methyl-2-pyrimidin-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(5-methyl-2-pyrimidin-2-ylpyrazol-3-yl)propanamide (CID 71856519) is 2-(4-bromophenoxy)-N-(5-methyl-2-pyrimidin-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(5-methyl-2-pyrimidin-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(5-methyl-2-pyrimidin-2-ylpyrazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)Oc2ccc(Br)cc2)n(-c2ncccn2)n1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(5-methyl-2-pyrimidin-2-ylpyrazol-3-yl)propanamide?
The InChIKey is BKKTXNPYRCUDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O2/c1-11-10-15(23(22-11)17-19-8-3-9-20-17)21-16(24)12(2)25-14-6-4-13(18)5-7-14/h3-10,12H,1-2H3,(H,21,24).
What are the key properties of 2-(4-bromophenoxy)-N-(5-methyl-2-pyrimidin-2-ylpyrazol-3-yl)propanamide?
2-(4-bromophenoxy)-N-(5-methyl-2-pyrimidin-2-ylpyrazol-3-yl)propanamide has a molecular weight of 402.25 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(5-methyl-2-pyrimidin-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 71856519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).