5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide

C13H25N5O — CID 55243489

IUPAC5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(CCOC)CC(C)C
InChIInChI=1S/C13H25N5O/c1-9(2)8-18(6-7-19-5)13-11(12(14)15)10(3)16-17(13)4/h9H,6-8H2,1-5H3,(H3,14,15)
InChIKeyJKHIXZWJUWNOIK-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.12
Rot. Bonds7

About 5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide

5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 55243489) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID55243489
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(CCOC)CC(C)C
InChIInChI=1S/C13H25N5O/c1-9(2)8-18(6-7-19-5)13-11(12(14)15)10(3)16-17(13)4/h9H,6-8H2,1-5H3,(H3,14,15)
InChIKeyJKHIXZWJUWNOIK-UHFFFAOYSA-N
XLogP1.12
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide (CID 55243489) is 5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N(CCOC)CC(C)C.
What is the InChIKey of 5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is JKHIXZWJUWNOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-9(2)8-18(6-7-19-5)13-11(12(14)15)10(3)16-17(13)4/h9H,6-8H2,1-5H3,(H3,14,15).
What are the key properties of 5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 267.38 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 55243489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).