methyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate

C12H20N4O3 — CID 65358129

IUPACmethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate
SMILESCCn1cc(N)c(C(=O)NC(C(=O)OC)C(C)C)n1
InChIInChI=1S/C12H20N4O3/c1-5-16-6-8(13)10(15-16)11(17)14-9(7(2)3)12(18)19-4/h6-7,9H,5,13H2,1-4H3,(H,14,17)
InChIKeyLECJIWXIROYKQG-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.41
Rot. Bonds5

About methyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate

methyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate (PubChem CID 65358129) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is methyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate
PubChem CID65358129
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Namemethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate
SMILESCCn1cc(N)c(C(=O)NC(C(=O)OC)C(C)C)n1
InChIInChI=1S/C12H20N4O3/c1-5-16-6-8(13)10(15-16)11(17)14-9(7(2)3)12(18)19-4/h6-7,9H,5,13H2,1-4H3,(H,14,17)
InChIKeyLECJIWXIROYKQG-UHFFFAOYSA-N
XLogP0.41
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate (CID 65358129) is methyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate is CCn1cc(N)c(C(=O)NC(C(=O)OC)C(C)C)n1.
What is the InChIKey of methyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate?
The InChIKey is LECJIWXIROYKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-5-16-6-8(13)10(15-16)11(17)14-9(7(2)3)12(18)19-4/h6-7,9H,5,13H2,1-4H3,(H,14,17).
What are the key properties of methyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate has a molecular weight of 268.32 g/mol, XLogP of 0.41, 5 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-ethylpyrazole-3-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 65358129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).