2-(4-iodo-5-methylpyrazol-1-yl)propanoic acid

C7H9IN2O2 — CID 66509236

IUPAC2-(4-iodo-5-methylpyrazol-1-yl)propanoic acid
SMILESCc1c(I)cnn1C(C)C(=O)O
InChIInChI=1S/C7H9IN2O2/c1-4-6(8)3-9-10(4)5(2)7(11)12/h3,5H,1-2H3,(H,11,12)
InChIKeyFTMKFOFPKCJESV-UHFFFAOYSA-N
MW280.06 g/mol
LogP1.44
Rot. Bonds2

About 2-(4-iodo-5-methylpyrazol-1-yl)propanoic acid

2-(4-iodo-5-methylpyrazol-1-yl)propanoic acid (PubChem CID 66509236) has the molecular formula C7H9IN2O2 and a molecular weight of 280.06 g/mol. Its IUPAC name is 2-(4-iodo-5-methylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-iodo-5-methylpyrazol-1-yl)propanoic acid
PubChem CID66509236
Molecular FormulaC7H9IN2O2
Molecular Weight280.06 g/mol
Exact Mass279.97
IUPAC Name2-(4-iodo-5-methylpyrazol-1-yl)propanoic acid
SMILESCc1c(I)cnn1C(C)C(=O)O
InChIInChI=1S/C7H9IN2O2/c1-4-6(8)3-9-10(4)5(2)7(11)12/h3,5H,1-2H3,(H,11,12)
InChIKeyFTMKFOFPKCJESV-UHFFFAOYSA-N
XLogP1.44
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(5-Methyl-1H-pyrazol-1-yl)propanoic acid
CID 814994
2-(5-methyl-1H-pyrazol-1-yl)propanoic acid
CID 6485706
2-(4-bromo-5-methyl-1H-pyrazol-1-yl)acetic acid
CID 3405384
1H-Pyrazole-1-acetic acid, 4-bromo-3-methyl-
CID 4074139
(5-methyl-1H-pyrazol-1-yl)acetic acid
CID 7018400
2-(4-chloro-3-methyl-1H-pyrazol-1-yl)acetic acid
CID 3268477
3-(4-iodo-3-methyl-1H-pyrazol-1-yl)propanoic acid
CID 17024701
2-(3-methyl-1H-pyrazol-1-yl)acetic acid
CID 5012329
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 19616392
2-(4-iodo-1H-pyrazol-1-yl)propanoic acid
CID 46318299
4-Iodo-5-methyl-1H-pyrazole-1-propanoic acid
CID 7018420
2-(4-iodo-5-methyl-1H-pyrazol-1-yl)butanoic acid
CID 60136725

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-5-methylpyrazol-1-yl)propanoic acid?
The IUPAC name of 2-(4-iodo-5-methylpyrazol-1-yl)propanoic acid (CID 66509236) is 2-(4-iodo-5-methylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-iodo-5-methylpyrazol-1-yl)propanoic acid?
The canonical SMILES for 2-(4-iodo-5-methylpyrazol-1-yl)propanoic acid is Cc1c(I)cnn1C(C)C(=O)O.
What is the InChIKey of 2-(4-iodo-5-methylpyrazol-1-yl)propanoic acid?
The InChIKey is FTMKFOFPKCJESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O2/c1-4-6(8)3-9-10(4)5(2)7(11)12/h3,5H,1-2H3,(H,11,12).
What are the key properties of 2-(4-iodo-5-methylpyrazol-1-yl)propanoic acid?
2-(4-iodo-5-methylpyrazol-1-yl)propanoic acid has a molecular weight of 280.06 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-5-methylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 66509236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).