ethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate

C10H17N3O2 — CID 43145818

IUPACethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(C)C)c1N
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)8-5-12-13(9(8)11)6-7(2)3/h5,7H,4,6,11H2,1-3H3
InChIKeyUPNNOXRELXOKAQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.30
Rot. Bonds4

About ethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate

ethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate (PubChem CID 43145818) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate
PubChem CID43145818
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(C)C)c1N
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)8-5-12-13(9(8)11)6-7(2)3/h5,7H,4,6,11H2,1-3H3
InChIKeyUPNNOXRELXOKAQ-UHFFFAOYSA-N
XLogP1.30
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 55175786
ethyl 5-amino-1-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrazole-4-carboxylate
CID 23655881
ethyl 5-amino-1-benzylpyrazole-4-carboxylate
CID 785810
ethyl 5-amino-1-(3-methoxypropyl)pyrazole-4-carboxylate
CID 67020934
ethyl 5-methyl-1-(3-methylbutyl)pyrazole-4-carboxylate
CID 63235032
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
ethane;ethyl 5-amino-1-[(4-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 144730846
ethyl 5-amino-1-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxylate
CID 121305827
sodium;diethyl 1-ethylpyrazole-4,5-dicarboxylate;ethanolate
CID 159056664
ethyl 3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 23088347
ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate
CID 55173850

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate (CID 43145818) is ethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(CC(C)C)c1N.
What is the InChIKey of ethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate?
The InChIKey is UPNNOXRELXOKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-15-10(14)8-5-12-13(9(8)11)6-7(2)3/h5,7H,4,6,11H2,1-3H3.
What are the key properties of ethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate is sourced from PubChem (CID 43145818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).