5-N-(2-methoxyethyl)-1,3-dimethyl-5-N-propan-2-ylpyrazole-4,5-diamine

C11H22N4O — CID 82948167

IUPAC5-N-(2-methoxyethyl)-1,3-dimethyl-5-N-propan-2-ylpyrazole-4,5-diamine
SMILESCOCCN(c1c(N)c(C)nn1C)C(C)C
InChIInChI=1S/C11H22N4O/c1-8(2)15(6-7-16-5)11-10(12)9(3)13-14(11)4/h8H,6-7,12H2,1-5H3
InChIKeyOVXQDRKJKWKTQO-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.17
Rot. Bonds5

About 5-N-(2-methoxyethyl)-1,3-dimethyl-5-N-propan-2-ylpyrazole-4,5-diamine

5-N-(2-methoxyethyl)-1,3-dimethyl-5-N-propan-2-ylpyrazole-4,5-diamine (PubChem CID 82948167) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-1,3-dimethyl-5-N-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-1,3-dimethyl-5-N-propan-2-ylpyrazole-4,5-diamine
PubChem CID82948167
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name5-N-(2-methoxyethyl)-1,3-dimethyl-5-N-propan-2-ylpyrazole-4,5-diamine
SMILESCOCCN(c1c(N)c(C)nn1C)C(C)C
InChIInChI=1S/C11H22N4O/c1-8(2)15(6-7-16-5)11-10(12)9(3)13-14(11)4/h8H,6-7,12H2,1-5H3
InChIKeyOVXQDRKJKWKTQO-UHFFFAOYSA-N
XLogP1.17
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxyethyl)-1,3-dimethyl-5-N-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2-methoxyethyl)-1,3-dimethyl-5-N-propan-2-ylpyrazole-4,5-diamine (CID 82948167) is 5-N-(2-methoxyethyl)-1,3-dimethyl-5-N-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2-methoxyethyl)-1,3-dimethyl-5-N-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2-methoxyethyl)-1,3-dimethyl-5-N-propan-2-ylpyrazole-4,5-diamine is COCCN(c1c(N)c(C)nn1C)C(C)C.
What is the InChIKey of 5-N-(2-methoxyethyl)-1,3-dimethyl-5-N-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is OVXQDRKJKWKTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-8(2)15(6-7-16-5)11-10(12)9(3)13-14(11)4/h8H,6-7,12H2,1-5H3.
What are the key properties of 5-N-(2-methoxyethyl)-1,3-dimethyl-5-N-propan-2-ylpyrazole-4,5-diamine?
5-N-(2-methoxyethyl)-1,3-dimethyl-5-N-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 226.32 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-1,3-dimethyl-5-N-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 82948167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).