5-amino-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyrazole-4-carbonitrile

C10H16N4O2 — CID 75522072

IUPAC5-amino-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyrazole-4-carbonitrile
SMILESCOCCOCCn1nc(C)c(C#N)c1N
InChIInChI=1S/C10H16N4O2/c1-8-9(7-11)10(12)14(13-8)3-4-16-6-5-15-2/h3-6,12H2,1-2H3
InChIKeyIORJQFCKEHXGJT-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.31
Rot. Bonds6

About 5-amino-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyrazole-4-carbonitrile

5-amino-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyrazole-4-carbonitrile (PubChem CID 75522072) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyrazole-4-carbonitrile
PubChem CID75522072
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyrazole-4-carbonitrile
SMILESCOCCOCCn1nc(C)c(C#N)c1N
InChIInChI=1S/C10H16N4O2/c1-8-9(7-11)10(12)14(13-8)3-4-16-6-5-15-2/h3-6,12H2,1-2H3
InChIKeyIORJQFCKEHXGJT-UHFFFAOYSA-N
XLogP0.31
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyrazole-4-carbonitrile (CID 75522072) is 5-amino-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyrazole-4-carbonitrile is COCCOCCn1nc(C)c(C#N)c1N.
What is the InChIKey of 5-amino-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyrazole-4-carbonitrile?
The InChIKey is IORJQFCKEHXGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-8-9(7-11)10(12)14(13-8)3-4-16-6-5-15-2/h3-6,12H2,1-2H3.
What are the key properties of 5-amino-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyrazole-4-carbonitrile?
5-amino-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyrazole-4-carbonitrile has a molecular weight of 224.26 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 75522072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).