ethyl 3-(3-carbamoylpyrazol-1-yl)butanoate

C10H15N3O3 — CID 64779746

IUPACethyl 3-(3-carbamoylpyrazol-1-yl)butanoate
SMILESCCOC(=O)CC(C)n1ccc(C(N)=O)n1
InChIInChI=1S/C10H15N3O3/c1-3-16-9(14)6-7(2)13-5-4-8(12-13)10(11)15/h4-5,7H,3,6H2,1-2H3,(H2,11,15)
InChIKeyHVGKWMTWWCHSAE-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.50
Rot. Bonds5

About ethyl 3-(3-carbamoylpyrazol-1-yl)butanoate

ethyl 3-(3-carbamoylpyrazol-1-yl)butanoate (PubChem CID 64779746) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 3-(3-carbamoylpyrazol-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-(3-carbamoylpyrazol-1-yl)butanoate
PubChem CID64779746
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 3-(3-carbamoylpyrazol-1-yl)butanoate
SMILESCCOC(=O)CC(C)n1ccc(C(N)=O)n1
InChIInChI=1S/C10H15N3O3/c1-3-16-9(14)6-7(2)13-5-4-8(12-13)10(11)15/h4-5,7H,3,6H2,1-2H3,(H2,11,15)
InChIKeyHVGKWMTWWCHSAE-UHFFFAOYSA-N
XLogP0.50
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[3-(methylcarbamoyl)pyrazol-1-yl]butanoate
CID 64777790
1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide
CID 64779947
ethyl 1-(1-cyanoethyl)pyrazole-3-carboxylate
CID 151969394
ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate
CID 96539757
3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64781304
methyl 1-(1-ethoxy-1-oxobutan-2-yl)pyrazole-3-carboxylate
CID 25247464
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
1-methylpyrazole-3-carboxamide
CID 13464586
ethyl 1-propan-2-ylpyrazole-3-carboxylate;3-oxabicyclo[3.1.0]hexane
CID 144669788
2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide
CID 64801986
ethyl 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]-3-hydroxybutanoate
CID 82778571
methyl 2-[(1-butan-2-ylpyrazol-3-yl)methylamino]propanoate
CID 64800871

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-carbamoylpyrazol-1-yl)butanoate?
The IUPAC name of ethyl 3-(3-carbamoylpyrazol-1-yl)butanoate (CID 64779746) is ethyl 3-(3-carbamoylpyrazol-1-yl)butanoate.
What is the SMILES notation for ethyl 3-(3-carbamoylpyrazol-1-yl)butanoate?
The canonical SMILES for ethyl 3-(3-carbamoylpyrazol-1-yl)butanoate is CCOC(=O)CC(C)n1ccc(C(N)=O)n1.
What is the InChIKey of ethyl 3-(3-carbamoylpyrazol-1-yl)butanoate?
The InChIKey is HVGKWMTWWCHSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-16-9(14)6-7(2)13-5-4-8(12-13)10(11)15/h4-5,7H,3,6H2,1-2H3,(H2,11,15).
What are the key properties of ethyl 3-(3-carbamoylpyrazol-1-yl)butanoate?
ethyl 3-(3-carbamoylpyrazol-1-yl)butanoate has a molecular weight of 225.25 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-carbamoylpyrazol-1-yl)butanoate is sourced from PubChem (CID 64779746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).