2-(4-carbamoylpyrazol-1-yl)propanoic acid

C7H9N3O3 — CID 19623315

IUPAC2-(4-carbamoylpyrazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1cc(C(N)=O)cn1
InChIInChI=1S/C7H9N3O3/c1-4(7(12)13)10-3-5(2-9-10)6(8)11/h2-4H,1H3,(H2,8,11)(H,12,13)
InChIKeyMUEIZBRJMAYLPK-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.37
Rot. Bonds3

About 2-(4-carbamoylpyrazol-1-yl)propanoic acid

2-(4-carbamoylpyrazol-1-yl)propanoic acid (PubChem CID 19623315) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(4-carbamoylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-carbamoylpyrazol-1-yl)propanoic acid
PubChem CID19623315
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(4-carbamoylpyrazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1cc(C(N)=O)cn1
InChIInChI=1S/C7H9N3O3/c1-4(7(12)13)10-3-5(2-9-10)6(8)11/h2-4H,1H3,(H2,8,11)(H,12,13)
InChIKeyMUEIZBRJMAYLPK-UHFFFAOYSA-N
XLogP-0.37
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622048
4-(4-carbamoylpyrazol-1-yl)pentanoic acid
CID 62829226
1-[1-(4-aminoanilino)-1-oxopropan-2-yl]pyrazole-4-carboxamide
CID 64780083
1-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 174395549
methyl 3-(4-carbamoylpyrazol-1-yl)butanoate
CID 62828712
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622105
(2S)-2-[4-(4-fluorophenyl)pyrazol-1-yl]propanoic acid
CID 97034160
2-[4-[(2,6-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502901
2-(4-carbamothioylpyrazol-1-yl)-N-methylpropanamide
CID 130573531
1-(1-aminopentan-3-yl)pyrazole-4-carboxamide
CID 64780864
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504805

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylpyrazol-1-yl)propanoic acid?
The IUPAC name of 2-(4-carbamoylpyrazol-1-yl)propanoic acid (CID 19623315) is 2-(4-carbamoylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-carbamoylpyrazol-1-yl)propanoic acid?
The canonical SMILES for 2-(4-carbamoylpyrazol-1-yl)propanoic acid is CC(C(=O)O)n1cc(C(N)=O)cn1.
What is the InChIKey of 2-(4-carbamoylpyrazol-1-yl)propanoic acid?
The InChIKey is MUEIZBRJMAYLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4(7(12)13)10-3-5(2-9-10)6(8)11/h2-4H,1H3,(H2,8,11)(H,12,13).
What are the key properties of 2-(4-carbamoylpyrazol-1-yl)propanoic acid?
2-(4-carbamoylpyrazol-1-yl)propanoic acid has a molecular weight of 183.17 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 19623315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).