4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid

C10H15BrN2O2 — CID 83904327

IUPAC4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid
SMILESCC(C)n1ncc(Br)c1CCCC(=O)O
InChIInChI=1S/C10H15BrN2O2/c1-7(2)13-9(8(11)6-12-13)4-3-5-10(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyPJNWTIAYXQTWFW-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.63
Rot. Bonds5

About 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid

4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid (PubChem CID 83904327) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid
PubChem CID83904327
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid
SMILESCC(C)n1ncc(Br)c1CCCC(=O)O
InChIInChI=1S/C10H15BrN2O2/c1-7(2)13-9(8(11)6-12-13)4-3-5-10(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyPJNWTIAYXQTWFW-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methylpropanoic acid
CID 83845216
N-[3-(4-bromo-1-propan-2-ylpyrazol-5-yl)propyl]-2-methylpropan-1-amine
CID 114664018
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbut-2-en-1-one
CID 103455630
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-chloro-2,2-difluoroethanone
CID 114642269
3-amino-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butan-1-one
CID 114668506
4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one
CID 114663497
4-bromo-1-[(2S)-butan-2-yl]pyrazole-5-carboxylic acid
CID 28842011
4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylheptan-4-ol
CID 114865658
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methoxyphenyl)propan-1-one
CID 115805173
2-amino-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethylbutan-1-one
CID 114670308
4-(4-bromo-5-cyclopropylpyrazol-1-yl)butanoic acid
CID 19620077
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methyl-3-(methylamino)propan-1-one
CID 114670019

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid?
The IUPAC name of 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid (CID 83904327) is 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid.
What is the SMILES notation for 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid?
The canonical SMILES for 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid is CC(C)n1ncc(Br)c1CCCC(=O)O.
What is the InChIKey of 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid?
The InChIKey is PJNWTIAYXQTWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-7(2)13-9(8(11)6-12-13)4-3-5-10(14)15/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid?
4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid has a molecular weight of 275.15 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1-propan-2-ylpyrazol-5-yl)butanoic acid is sourced from PubChem (CID 83904327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).