ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate

C9H14N4O3 — CID 65355222

IUPACethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1nn(C)cc1N
InChIInChI=1S/C9H14N4O3/c1-3-16-7(14)4-11-9(15)8-6(10)5-13(2)12-8/h5H,3-4,10H2,1-2H3,(H,11,15)
InChIKeyHJUMJNDUSPGUBP-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.70
Rot. Bonds4

About ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate

ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate (PubChem CID 65355222) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
PubChem CID65355222
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Nameethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1nn(C)cc1N
InChIInChI=1S/C9H14N4O3/c1-3-16-7(14)4-11-9(15)8-6(10)5-13(2)12-8/h5H,3-4,10H2,1-2H3,(H,11,15)
InChIKeyHJUMJNDUSPGUBP-UHFFFAOYSA-N
XLogP-0.70
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide
CID 65354139
4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
CID 65355029
4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
CID 66169769
4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide
CID 65354922
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230
4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65355253
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide
CID 106139412
4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide
CID 131241275
4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 65355148

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate (CID 65355222) is ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1nn(C)cc1N.
What is the InChIKey of ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate?
The InChIKey is HJUMJNDUSPGUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-3-16-7(14)4-11-9(15)8-6(10)5-13(2)12-8/h5H,3-4,10H2,1-2H3,(H,11,15).
What are the key properties of ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate?
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate has a molecular weight of 226.24 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate is sourced from PubChem (CID 65355222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).