4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide

C12H22N4O2 — CID 114940346

IUPAC4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C12H22N4O2/c1-6-18-12(3,4)7-14-11(17)10-9(13)8(2)15-16(10)5/h6-7,13H2,1-5H3,(H,14,17)
InChIKeyNEZAJTLXTSPKRT-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.86
Rot. Bonds5

About 4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 114940346) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID114940346
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C12H22N4O2/c1-6-18-12(3,4)7-14-11(17)10-9(13)8(2)15-16(10)5/h6-7,13H2,1-5H3,(H,14,17)
InChIKeyNEZAJTLXTSPKRT-UHFFFAOYSA-N
XLogP0.86
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide (CID 114940346) is 4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide is CCOC(C)(C)CNC(=O)c1c(N)c(C)nn1C.
What is the InChIKey of 4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is NEZAJTLXTSPKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-6-18-12(3,4)7-14-11(17)10-9(13)8(2)15-16(10)5/h6-7,13H2,1-5H3,(H,14,17).
What are the key properties of 4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 114940346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).