3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid

C10H15N3O3 — CID 61008278

IUPAC3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cnn(C)c1
InChIInChI=1S/C10H15N3O3/c1-3-13(5-4-9(14)15)10(16)8-6-11-12(2)7-8/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyIWCFTNJWRIYVAP-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.36
Rot. Bonds5

About 3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid

3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 61008278) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID61008278
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cnn(C)c1
InChIInChI=1S/C10H15N3O3/c1-3-13(5-4-9(14)15)10(16)8-6-11-12(2)7-8/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyIWCFTNJWRIYVAP-UHFFFAOYSA-N
XLogP0.36
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 60989525
3-[ethyl-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid
CID 80688938
3-[[1-(4-bromophenyl)pyrazole-4-carbonyl]-ethylamino]propanoic acid
CID 119190871
N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78970434
N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 47140649
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
N-(2-bromoethyl)-1-methyl-N-propylpyrazole-4-carboxamide
CID 80661307
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid
CID 79264280
N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide
CID 63755874
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide
CID 54987485
3-[(4-bromobenzoyl)-ethylamino]propanoic acid
CID 61007317

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid (CID 61008278) is 3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1cnn(C)c1.
What is the InChIKey of 3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is IWCFTNJWRIYVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-13(5-4-9(14)15)10(16)8-6-11-12(2)7-8/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid?
3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61008278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).