N-amino-N'-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboximidamide

C10H19N5O — CID 62544146

IUPACN-amino-N'-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboximidamide
SMILESCOCC/N=C(\NN)c1c(C)nn(C)c1C
InChIInChI=1S/C10H19N5O/c1-7-9(8(2)15(3)14-7)10(13-11)12-5-6-16-4/h5-6,11H2,1-4H3,(H,12,13)
InChIKeyYBGAAXHHOSTFCH-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.11
Rot. Bonds4

About N-amino-N'-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboximidamide

N-amino-N'-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboximidamide (PubChem CID 62544146) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-amino-N'-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboximidamide
PubChem CID62544146
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-amino-N'-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboximidamide
SMILESCOCC/N=C(\NN)c1c(C)nn(C)c1C
InChIInChI=1S/C10H19N5O/c1-7-9(8(2)15(3)14-7)10(13-11)12-5-6-16-4/h5-6,11H2,1-4H3,(H,12,13)
InChIKeyYBGAAXHHOSTFCH-UHFFFAOYSA-N
XLogP-0.11
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboximidamide?
The IUPAC name of N-amino-N'-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboximidamide (CID 62544146) is N-amino-N'-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboximidamide.
What is the SMILES notation for N-amino-N'-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboximidamide?
The canonical SMILES for N-amino-N'-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboximidamide is COCC/N=C(\NN)c1c(C)nn(C)c1C.
What is the InChIKey of N-amino-N'-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboximidamide?
The InChIKey is YBGAAXHHOSTFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-7-9(8(2)15(3)14-7)10(13-11)12-5-6-16-4/h5-6,11H2,1-4H3,(H,12,13).
What are the key properties of N-amino-N'-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboximidamide?
N-amino-N'-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboximidamide has a molecular weight of 225.30 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(2-methoxyethyl)-1,3,5-trimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 62544146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).