5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile

C11H10N4O — CID 2763873

IUPAC5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
SMILESCOc1ccc(-n2ncc(C#N)c2N)cc1
InChIInChI=1S/C11H10N4O/c1-16-10-4-2-9(3-5-10)15-11(13)8(6-12)7-14-15/h2-5,7H,13H2,1H3
InChIKeyAIQYZOPCGVEHML-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.33
Rot. Bonds2

About 5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile

5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile (PubChem CID 2763873) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
PubChem CID2763873
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
SMILESCOc1ccc(-n2ncc(C#N)c2N)cc1
InChIInChI=1S/C11H10N4O/c1-16-10-4-2-9(3-5-10)15-11(13)8(6-12)7-14-15/h2-5,7H,13H2,1H3
InChIKeyAIQYZOPCGVEHML-UHFFFAOYSA-N
XLogP1.33
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Fpl 62064
CID 128268
5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile
CID 4646667
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CID 228622
3-[4-Imino-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
CID 2378460
1-(4-Methoxyphenyl)-3-phenyl-1H-pyrazol-5-ylamine
CID 4121554
1-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine
CID 5155686
1-(4-Methoxyphenyl)-3-methylpyrazole-4-carbonitrile
CID 67120062
5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile
CID 5287070
Ethyl 5-amino-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-4-carboxylate
CID 622933
ethyl 5-amino-1-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylate
CID 46741273
5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 3586349
Ethyl 5-amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate
CID 4456866

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile (CID 2763873) is 5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile is COc1ccc(-n2ncc(C#N)c2N)cc1.
What is the InChIKey of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile?
The InChIKey is AIQYZOPCGVEHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-16-10-4-2-9(3-5-10)15-11(13)8(6-12)7-14-15/h2-5,7H,13H2,1H3.
What are the key properties of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile?
5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile has a molecular weight of 214.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 2763873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).