ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate

C10H17N3O3 — CID 67020934

IUPACethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCCOC)c1N
InChIInChI=1S/C10H17N3O3/c1-3-16-10(14)8-7-12-13(9(8)11)5-4-6-15-2/h7H,3-6,11H2,1-2H3
InChIKeyGRGLXZNFMIQGQP-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.68
Rot. Bonds6

About ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate

ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate (PubChem CID 67020934) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate
PubChem CID67020934
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Nameethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCCOC)c1N
InChIInChI=1S/C10H17N3O3/c1-3-16-10(14)8-7-12-13(9(8)11)5-4-6-15-2/h7H,3-6,11H2,1-2H3
InChIKeyGRGLXZNFMIQGQP-UHFFFAOYSA-N
XLogP0.68
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 43145818
ethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate
CID 121305827
ethyl 5-amino-1-benzylpyrazole-4-carboxylate
CID 785810
ethyl 5-amino-1-[(4-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 778101
ethyl 5-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazole-4-carboxylate
CID 130300143
ethyl 4-amino-1-(3-methoxypropyl)pyrrole-3-carboxylate;hydrochloride
CID 67079518
ethyl 5-[[bis(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631873
ethane;ethyl 5-amino-1-[(4-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 144730846
ethyl 5-(butoxymethyl)-1-methylpyrazole-4-carboxylate
CID 116629704
ethyl 1-(3-methoxypropyl)-5-propyltriazole-4-carboxylate
CID 103106084
ethyl 5-amino-1-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrazole-4-carboxylate
CID 23655881
sodium;diethyl 1-ethylpyrazole-4,5-dicarboxylate;ethanolate
CID 159056664

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate (CID 67020934) is ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(CCCOC)c1N.
What is the InChIKey of ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate?
The InChIKey is GRGLXZNFMIQGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-16-10(14)8-7-12-13(9(8)11)5-4-6-15-2/h7H,3-6,11H2,1-2H3.
What are the key properties of ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate is sourced from PubChem (CID 67020934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).