5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile

C11H18N4O — CID 100763823

IUPAC5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile
SMILESCOCCn1nc(C(C)(C)C)c(C#N)c1N
InChIInChI=1S/C11H18N4O/c1-11(2,3)9-8(7-12)10(13)15(14-9)5-6-16-4/h5-6,13H2,1-4H3
InChIKeyUJFQJOLFEUNHCY-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.28
Rot. Bonds3

About 5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile

5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile (PubChem CID 100763823) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile
PubChem CID100763823
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile
SMILESCOCCn1nc(C(C)(C)C)c(C#N)c1N
InChIInChI=1S/C11H18N4O/c1-11(2,3)9-8(7-12)10(13)15(14-9)5-6-16-4/h5-6,13H2,1-4H3
InChIKeyUJFQJOLFEUNHCY-UHFFFAOYSA-N
XLogP1.28
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyrazole-4-carbonitrile
CID 100763866
5-amino-3-tert-butyl-1-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764851
5-amino-1-(2-methoxyethyl)-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile
CID 100763978
5-amino-1-propyl-3-(propylamino)pyrazole-4-carbonitrile
CID 102796033
4-amino-6-tert-butyl-2-(2-methoxyethyl)pyridazin-3-one
CID 82467437
5-amino-1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethylamino)pyrazole-4-carbonitrile
CID 102796662
5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile
CID 102795727
5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795333
5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine
CID 104568872
5-amino-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 100765048
5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile
CID 100762264
1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 118365625

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile (CID 100763823) is 5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile is COCCn1nc(C(C)(C)C)c(C#N)c1N.
What is the InChIKey of 5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile?
The InChIKey is UJFQJOLFEUNHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2,3)9-8(7-12)10(13)15(14-9)5-6-16-4/h5-6,13H2,1-4H3.
What are the key properties of 5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile?
5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile has a molecular weight of 222.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-tert-butyl-1-(2-methoxyethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 100763823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).