[2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

C10H16N4O3 — CID 66124701

IUPAC[2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OCC(=O)NC
InChIInChI=1S/C10H16N4O3/c1-4-14-9(8(11)6(2)13-14)10(16)17-5-7(15)12-3/h4-5,11H2,1-3H3,(H,12,15)
InChIKeyWYTSTJBJPGHYSV-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.30
Rot. Bonds4

About [2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

[2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (PubChem CID 66124701) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
PubChem CID66124701
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name[2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OCC(=O)NC
InChIInChI=1S/C10H16N4O3/c1-4-14-9(8(11)6(2)13-14)10(16)17-5-7(15)12-3/h4-5,11H2,1-3H3,(H,12,15)
InChIKeyWYTSTJBJPGHYSV-UHFFFAOYSA-N
XLogP-0.30
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61321425
4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125657
(1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125280
[1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125085
2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124113
[4-(methylamino)-4-oxobutyl] 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66124815
cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124109
oxan-4-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124690
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124501
thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66123924
[2-(2-methylpropylamino)-2-oxoethyl] 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66125383
2-ethyl-N,4,5-trimethylpyrazole-3-carboxamide
CID 154451968

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (CID 66124701) is [2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is CCn1nc(C)c(N)c1C(=O)OCC(=O)NC.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The InChIKey is WYTSTJBJPGHYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-4-14-9(8(11)6(2)13-14)10(16)17-5-7(15)12-3/h4-5,11H2,1-3H3,(H,12,15).
What are the key properties of [2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
[2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate has a molecular weight of 240.26 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66124701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).