3-(5-carbamoylpyrazol-1-yl)propanoic acid

C7H9N3O3 — CID 50896470

IUPAC3-(5-carbamoylpyrazol-1-yl)propanoic acid
SMILESNC(=O)c1ccnn1CCC(=O)O
InChIInChI=1S/C7H9N3O3/c8-7(13)5-1-3-9-10(5)4-2-6(11)12/h1,3H,2,4H2,(H2,8,13)(H,11,12)
InChIKeyUORZNTUTHDVBHS-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.54
Rot. Bonds4

About 3-(5-carbamoylpyrazol-1-yl)propanoic acid

3-(5-carbamoylpyrazol-1-yl)propanoic acid (PubChem CID 50896470) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-(5-carbamoylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-carbamoylpyrazol-1-yl)propanoic acid
PubChem CID50896470
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name3-(5-carbamoylpyrazol-1-yl)propanoic acid
SMILESNC(=O)c1ccnn1CCC(=O)O
InChIInChI=1S/C7H9N3O3/c8-7(13)5-1-3-9-10(5)4-2-6(11)12/h1,3H,2,4H2,(H2,8,13)(H,11,12)
InChIKeyUORZNTUTHDVBHS-UHFFFAOYSA-N
XLogP-0.54
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-carboxyethyl)pyrazole-3-carboxylic acid
CID 19494074
3-(5-aminopyrazol-1-yl)propanoic acid
CID 23005548
2-(fluoromethyl)pyrazole-3-carboxamide
CID 141169291
3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490170
2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide
CID 141015271
4-(2-methylpyrazol-3-yl)-4-oxobutanoic acid
CID 82407999
3-(6-oxopyridazin-1-yl)propanoic acid
CID 62850301
3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19490099
3-[5-(1-adamantylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19489971
3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491840
3-[5-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490016
3-[5-[(4-methyl-2-pyridinyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19489957

Frequently Asked Questions

What is the IUPAC name of 3-(5-carbamoylpyrazol-1-yl)propanoic acid?
The IUPAC name of 3-(5-carbamoylpyrazol-1-yl)propanoic acid (CID 50896470) is 3-(5-carbamoylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-carbamoylpyrazol-1-yl)propanoic acid?
The canonical SMILES for 3-(5-carbamoylpyrazol-1-yl)propanoic acid is NC(=O)c1ccnn1CCC(=O)O.
What is the InChIKey of 3-(5-carbamoylpyrazol-1-yl)propanoic acid?
The InChIKey is UORZNTUTHDVBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c8-7(13)5-1-3-9-10(5)4-2-6(11)12/h1,3H,2,4H2,(H2,8,13)(H,11,12).
What are the key properties of 3-(5-carbamoylpyrazol-1-yl)propanoic acid?
3-(5-carbamoylpyrazol-1-yl)propanoic acid has a molecular weight of 183.17 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-carbamoylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 50896470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).