3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid

C10H15N3O3 — CID 115731312

IUPAC3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid
SMILESCCn1cc(C(=O)N(C)CCC(=O)O)cn1
InChIInChI=1S/C10H15N3O3/c1-3-13-7-8(6-11-13)10(16)12(2)5-4-9(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyKZYCZNGSFYQWIG-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.45
Rot. Bonds5

About 3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid

3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid (PubChem CID 115731312) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid
PubChem CID115731312
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid
SMILESCCn1cc(C(=O)N(C)CCC(=O)O)cn1
InChIInChI=1S/C10H15N3O3/c1-3-13-7-8(6-11-13)10(16)12(2)5-4-9(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyKZYCZNGSFYQWIG-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid
CID 119173115
3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 60989525
4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
CID 43090429
3-[(3,4-difluorophenyl)methyl-(1-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 119208028
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide
CID 75523998
3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19622220
1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 19477921
3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one
CID 42573729
3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 61008278
3-[tert-butyl-[(1-ethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 62125700
3-[(4-ethylbenzoyl)-methylamino]propanoic acid
CID 60989059

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid (CID 115731312) is 3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid is CCn1cc(C(=O)N(C)CCC(=O)O)cn1.
What is the InChIKey of 3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid?
The InChIKey is KZYCZNGSFYQWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-13-7-8(6-11-13)10(16)12(2)5-4-9(14)15/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid?
3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 115731312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).