2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid

C11H17N3O3 — CID 19622048

IUPAC2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCCN(CC)C(=O)c1cnn(C(C)C(=O)O)c1
InChIInChI=1S/C11H17N3O3/c1-4-13(5-2)10(15)9-6-12-14(7-9)8(3)11(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyFZAMKXHRCUYPBO-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.01
Rot. Bonds5

About 2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid

2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 19622048) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid
PubChem CID19622048
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCCN(CC)C(=O)c1cnn(C(C)C(=O)O)c1
InChIInChI=1S/C11H17N3O3/c1-4-13(5-2)10(15)9-6-12-14(7-9)8(3)11(16)17/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyFZAMKXHRCUYPBO-UHFFFAOYSA-N
XLogP1.01
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-carbamoylpyrazol-1-yl)propanoic acid
CID 19623315
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504805
2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504753
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622068
2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504757
2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19504825
2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19502955
1-[1-[4-(diethylamino)anilino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504874
1-butan-2-ylpyrazole-4-carboxylic acid
CID 61272060
3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 61008278
2-[4-(oxolan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622066

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid (CID 19622048) is 2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid is CCN(CC)C(=O)c1cnn(C(C)C(=O)O)c1.
What is the InChIKey of 2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is FZAMKXHRCUYPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-13(5-2)10(15)9-6-12-14(7-9)8(3)11(16)17/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid?
2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19622048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).