3-(5-methyl-1H-pyrazol-4-yl)propanoic acid

C7H10N2O2 — CID 23006022

IUPAC3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
SMILESCc1[nH]ncc1CCC(=O)O
InChIInChI=1S/C7H10N2O2/c1-5-6(4-8-9-5)2-3-7(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeySNQIXWDQNKLNLW-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.74
Rot. Bonds3

About 3-(5-methyl-1H-pyrazol-4-yl)propanoic acid

3-(5-methyl-1H-pyrazol-4-yl)propanoic acid (PubChem CID 23006022) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
PubChem CID23006022
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
SMILESCc1[nH]ncc1CCC(=O)O
InChIInChI=1S/C7H10N2O2/c1-5-6(4-8-9-5)2-3-7(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeySNQIXWDQNKLNLW-UHFFFAOYSA-N
XLogP0.74
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 62040744
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid
CID 62039653
3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid
CID 61004286
3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propanoic acid
CID 22420286
3-(7-methyl-1H-indazol-6-yl)propanoic acid
CID 175141780
3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid
CID 23006026
4-methyl-4-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]pentanoic acid
CID 62048003
5-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]-2-oxo-1,3-dihydropyrrole-4-carboxylic acid
CID 96595886
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid
CID 39096208
2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 62961134
4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 62047810

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)propanoic acid (CID 23006022) is 3-(5-methyl-1H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-4-yl)propanoic acid is Cc1[nH]ncc1CCC(=O)O.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-4-yl)propanoic acid?
The InChIKey is SNQIXWDQNKLNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-6(4-8-9-5)2-3-7(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 3-(5-methyl-1H-pyrazol-4-yl)propanoic acid?
3-(5-methyl-1H-pyrazol-4-yl)propanoic acid has a molecular weight of 154.17 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 23006022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).