methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate

C9H14N4O3 — CID 66120847

IUPACmethyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C9H14N4O3/c1-5-7(10)8(13(2)12-5)9(15)11-4-6(14)16-3/h4,10H2,1-3H3,(H,11,15)
InChIKeyDRZGNNRRLZEKIA-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.79
Rot. Bonds3

About methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate

methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate (PubChem CID 66120847) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate
PubChem CID66120847
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Namemethyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C9H14N4O3/c1-5-7(10)8(13(2)12-5)9(15)11-4-6(14)16-3/h4,10H2,1-3H3,(H,11,15)
InChIKeyDRZGNNRRLZEKIA-UHFFFAOYSA-N
XLogP-0.79
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 13822925
4-amino-5-ethyl-1-(2-methoxyethyl)-1H-Pyrazole-3-carboxamide
CID 11264312
2-(2,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)-N-propan-2-ylacetamide
CID 39890794
2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N,N-dimethylacetamide
CID 39892266
1-Ethyl-3-methyl-1,4,6,7-tetrahydropyrazolo[4,3-e][1,4]diazepine-5,8-dione
CID 377439
1-Ethyl-3,6-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-e][1,4]diazepine-5,8-dione
CID 377440
4-Amino-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-3-carboxamide
CID 58935516
4-Amino-5-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-3-carboxamide
CID 58935662
4-Amino-2-(2-ethoxyethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 69368658
2-(2-ethoxyethyl)-N-ethyl-4-nitro-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 69368754
4-Amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 87800601
4-fluoro-N,3-dimethyl-1-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]pyrazole-5-carboxamide
CID 163932043

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate (CID 66120847) is methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate is COC(=O)CNC(=O)c1c(N)c(C)nn1C.
What is the InChIKey of methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate?
The InChIKey is DRZGNNRRLZEKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-5-7(10)8(13(2)12-5)9(15)11-4-6(14)16-3/h4,10H2,1-3H3,(H,11,15).
What are the key properties of methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate?
methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate has a molecular weight of 226.24 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate is sourced from PubChem (CID 66120847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).