propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate

C13H15N3O4 — CID 82360746

IUPACpropyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate
SMILESCCCOC(=O)Cn1nc(-c2ccco2)c(C=O)c1N
InChIInChI=1S/C13H15N3O4/c1-2-5-20-11(18)7-16-13(14)9(8-17)12(15-16)10-4-3-6-19-10/h3-4,6,8H,2,5,7,14H2,1H3
InChIKeyJWTTVRGFJADWFV-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.49
Rot. Bonds6

About propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate

propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate (PubChem CID 82360746) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate
PubChem CID82360746
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Namepropyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate
SMILESCCCOC(=O)Cn1nc(-c2ccco2)c(C=O)c1N
InChIInChI=1S/C13H15N3O4/c1-2-5-20-11(18)7-16-13(14)9(8-17)12(15-16)10-4-3-6-19-10/h3-4,6,8H,2,5,7,14H2,1H3
InChIKeyJWTTVRGFJADWFV-UHFFFAOYSA-N
XLogP1.49
TPSA100.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate
CID 162665882
3-(furan-2-yl)-1-methyl-1H-pyrazol-5-amine
CID 4737046
2-(5-amino-3-(2-methylfuran-3-yl)-1H-pyrazol-1-yl)ethan-1-ol
CID 16228567
3-(furan-2-yl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 42281964
1-methyl-3-(5-methylfuran-2-yl)-1H-pyrazole-4-carbaldehyde
CID 43141304
3-[4-Formyl-3-(5-methylfuran-2-yl)pyrazol-1-yl]propanenitrile
CID 2184190
ethyl (3-(furan-2-yl)-1-(2-hydroxyethyl)-1H-pyrazol-5-yl)carbamate
CID 49669709
1-[(2-Fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine
CID 12018220
5-Amino-1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-4-carbonitrile
CID 12018222
1-[(2-Fluorophenyl)methyl]-3-(furan-2-yl)-4-isocyanopyrazol-5-amine
CID 23381171
5-Amino-3-(furan-2-yl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 124117044
1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135816426

Frequently Asked Questions

What is the IUPAC name of propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate?
The IUPAC name of propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate (CID 82360746) is propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate.
What is the SMILES notation for propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate?
The canonical SMILES for propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate is CCCOC(=O)Cn1nc(-c2ccco2)c(C=O)c1N.
What is the InChIKey of propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate?
The InChIKey is JWTTVRGFJADWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-2-5-20-11(18)7-16-13(14)9(8-17)12(15-16)10-4-3-6-19-10/h3-4,6,8H,2,5,7,14H2,1H3.
What are the key properties of propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate?
propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate has a molecular weight of 277.28 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate is sourced from PubChem (CID 82360746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).