2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)acetic acid

C7H9BrN2O2 — CID 175001193

IUPAC2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)acetic acid
SMILESCCc1[nH]nc(Br)c1CC(=O)O
InChIInChI=1S/C7H9BrN2O2/c1-2-5-4(3-6(11)12)7(8)10-9-5/h2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyKOMCTFMNXYJTIL-UHFFFAOYSA-N
MW233.06 g/mol
LogP1.36
Rot. Bonds3

About 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)acetic acid

2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)acetic acid (PubChem CID 175001193) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)acetic acid
PubChem CID175001193
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)acetic acid
SMILESCCc1[nH]nc(Br)c1CC(=O)O
InChIInChI=1S/C7H9BrN2O2/c1-2-5-4(3-6(11)12)7(8)10-9-5/h2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyKOMCTFMNXYJTIL-UHFFFAOYSA-N
XLogP1.36
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 2146178
2-(3,5-diethyl-1H-pyrazol-4-yl)acetic acid
CID 50987854
3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid
CID 10375876
tert-butyl 2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)acetate
CID 66707298
2-(3,5-dimethyl-1H-pyrazol-4-yl)-3,3-dimethylbutanoic acid
CID 66937953
2-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]acetic acid
CID 68630750
2-[3-(carboxymethyl)-5-methyl-1H-pyrazol-4-yl]acetic acid
CID 69012488
methyl 2-(3,5-diethyl-1H-pyrazol-4-yl)acetate
CID 79218828
2-(4,5-dimethyl-1H-pyrazol-3-yl)acetic acid
CID 82416662
2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)acetic acid
CID 83530132
ethyl 2-(3-ethyl-5-methyl-1H-pyrazol-4-yl)acetate
CID 89370098
2-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)acetic acid
CID 144506277

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)acetic acid (CID 175001193) is 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)acetic acid is CCc1[nH]nc(Br)c1CC(=O)O.
What is the InChIKey of 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)acetic acid?
The InChIKey is KOMCTFMNXYJTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-2-5-4(3-6(11)12)7(8)10-9-5/h2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)acetic acid?
2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)acetic acid has a molecular weight of 233.06 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-ethyl-1H-pyrazol-4-yl)acetic acid is sourced from PubChem (CID 175001193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).