ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate

C10H16N4O3 — CID 107345022

IUPACethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC(C)C(N)=O)cc1N
InChIInChI=1S/C10H16N4O3/c1-3-17-10(16)8-7(11)5-14(13-8)4-6(2)9(12)15/h5-6H,3-4,11H2,1-2H3,(H2,12,15)
InChIKeyUXKIQWZYUSBNAD-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.24
Rot. Bonds5

About ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate

ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate (PubChem CID 107345022) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate
PubChem CID107345022
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Nameethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC(C)C(N)=O)cc1N
InChIInChI=1S/C10H16N4O3/c1-3-17-10(16)8-7(11)5-14(13-8)4-6(2)9(12)15/h5-6H,3-4,11H2,1-2H3,(H2,12,15)
InChIKeyUXKIQWZYUSBNAD-UHFFFAOYSA-N
XLogP-0.24
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate
CID 107344838
ethyl 4-amino-1-(2-hydroxyethyl)pyrazole-3-carboxylate
CID 107344782
ethyl 4-amino-1-pentylpyrazole-3-carboxylate
CID 107344874
ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate
CID 107344882
ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344903
ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate
CID 107345048
ethyl 4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxylate
CID 107344799
ethyl 4-amino-1-(2,2-difluoro-2-phenylethyl)pyrazole-3-carboxylate
CID 107345044
ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate
CID 107891686
ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate
CID 107344921
ethyl 4-amino-1-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxylate
CID 107345053
ethyl 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107345027

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate (CID 107345022) is ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate is CCOC(=O)c1nn(CC(C)C(N)=O)cc1N.
What is the InChIKey of ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate?
The InChIKey is UXKIQWZYUSBNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-17-10(16)8-7(11)5-14(13-8)4-6(2)9(12)15/h5-6H,3-4,11H2,1-2H3,(H2,12,15).
What are the key properties of ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate?
ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate has a molecular weight of 240.26 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate is sourced from PubChem (CID 107345022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).