4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid

C11H17N3O3 — CID 119173115

IUPAC4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid
SMILESCCn1cc(C(=O)N(C)CCCC(=O)O)cn1
InChIInChI=1S/C11H17N3O3/c1-3-14-8-9(7-12-14)11(17)13(2)6-4-5-10(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyOHFBUQGUKMMORC-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.84
Rot. Bonds6

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

4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid (PubChem CID 119173115) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid
PubChem CID119173115
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid
SMILESCCn1cc(C(=O)N(C)CCCC(=O)O)cn1
InChIInChI=1S/C11H17N3O3/c1-3-14-8-9(7-12-14)11(17)13(2)6-4-5-10(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyOHFBUQGUKMMORC-UHFFFAOYSA-N
XLogP0.84
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid
CID 115731312
4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
CID 43090429
3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 60989525
4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 43565635
1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 19477921
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
4-[(4-acetylbenzoyl)-methylamino]butanoic acid
CID 119172709
N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide
CID 75523998
4-[(5,6-dichloropyridine-3-carbonyl)-methylamino]butanoic acid
CID 43240294
3-[(3,4-difluorophenyl)methyl-(1-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 119208028
3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one
CID 42573729
4-[methyl-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]butanoic acid
CID 119135807

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid (CID 119173115) is 4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid is CCn1cc(C(=O)N(C)CCCC(=O)O)cn1.
What is the InChIKey of 4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid?
The InChIKey is OHFBUQGUKMMORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-14-8-9(7-12-14)11(17)13(2)6-4-5-10(15)16/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid?
4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 119173115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).