2-propoxyethyl 4-amino-1-methylpyrazole-5-carboxylate

C10H17N3O3 — CID 65357465

IUPAC2-propoxyethyl 4-amino-1-methylpyrazole-5-carboxylate
SMILESCCCOCCOC(=O)c1c(N)cnn1C
InChIInChI=1S/C10H17N3O3/c1-3-4-15-5-6-16-10(14)9-8(11)7-12-13(9)2/h7H,3-6,11H2,1-2H3
InChIKeySOYDRTGTHZGTAQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.59
Rot. Bonds6

About 2-propoxyethyl 4-amino-1-methylpyrazole-5-carboxylate

2-propoxyethyl 4-amino-1-methylpyrazole-5-carboxylate (PubChem CID 65357465) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-propoxyethyl 4-amino-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name2-propoxyethyl 4-amino-1-methylpyrazole-5-carboxylate
PubChem CID65357465
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-propoxyethyl 4-amino-1-methylpyrazole-5-carboxylate
SMILESCCCOCCOC(=O)c1c(N)cnn1C
InChIInChI=1S/C10H17N3O3/c1-3-4-15-5-6-16-10(14)9-8(11)7-12-13(9)2/h7H,3-6,11H2,1-2H3
InChIKeySOYDRTGTHZGTAQ-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
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

octyl 4-amino-1-methylpyrazole-5-carboxylate
CID 65357273
2-ethoxyethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66124995
2-propoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate
CID 65362690
ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate
CID 65359556
1-(4-chloro-1-methylpyrazol-5-yl)-2-propoxyethanone
CID 114639642
4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65359812
methane;1-O-methyl 4-O-(2-propoxyethyl) benzene-1,4-dicarboxylate
CID 157160392
(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210694
1-methyl-5-(2-propoxyethoxymethyl)pyrazole-4-carboxylic acid
CID 116629771
(4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210607
4-amino-N-hexan-2-yl-1-methylpyrazole-5-carboxamide
CID 65359999
3,3-dimethylbutyl 4-amino-1-ethylpyrazole-5-carboxylate
CID 66227122

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 4-amino-1-methylpyrazole-5-carboxylate?
The IUPAC name of 2-propoxyethyl 4-amino-1-methylpyrazole-5-carboxylate (CID 65357465) is 2-propoxyethyl 4-amino-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for 2-propoxyethyl 4-amino-1-methylpyrazole-5-carboxylate?
The canonical SMILES for 2-propoxyethyl 4-amino-1-methylpyrazole-5-carboxylate is CCCOCCOC(=O)c1c(N)cnn1C.
What is the InChIKey of 2-propoxyethyl 4-amino-1-methylpyrazole-5-carboxylate?
The InChIKey is SOYDRTGTHZGTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-4-15-5-6-16-10(14)9-8(11)7-12-13(9)2/h7H,3-6,11H2,1-2H3.
What are the key properties of 2-propoxyethyl 4-amino-1-methylpyrazole-5-carboxylate?
2-propoxyethyl 4-amino-1-methylpyrazole-5-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 4-amino-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 65357465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).