3-(4-amino-5-methylpyrazol-1-yl)benzonitrile

C11H10N4 — CID 60867380

IUPAC3-(4-amino-5-methylpyrazol-1-yl)benzonitrile
SMILESCc1c(N)cnn1-c1cccc(C#N)c1
InChIInChI=1S/C11H10N4/c1-8-11(13)7-14-15(8)10-4-2-3-9(5-10)6-12/h2-5,7H,13H2,1H3
InChIKeyFYXZDONQXXIPLE-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.63
Rot. Bonds1

About 3-(4-amino-5-methylpyrazol-1-yl)benzonitrile

3-(4-amino-5-methylpyrazol-1-yl)benzonitrile (PubChem CID 60867380) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-(4-amino-5-methylpyrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name3-(4-amino-5-methylpyrazol-1-yl)benzonitrile
PubChem CID60867380
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name3-(4-amino-5-methylpyrazol-1-yl)benzonitrile
SMILESCc1c(N)cnn1-c1cccc(C#N)c1
InChIInChI=1S/C11H10N4/c1-8-11(13)7-14-15(8)10-4-2-3-9(5-10)6-12/h2-5,7H,13H2,1H3
InChIKeyFYXZDONQXXIPLE-UHFFFAOYSA-N
XLogP1.63
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile
CID 66441630
3-(3,5-dioxo-1,2,4-triazin-2-yl)benzonitrile
CID 12569263
3-[5-amino-3-(4-methylphenyl)pyrazol-1-yl]benzonitrile
CID 43542996
3-[6-(3-aminophenyl)indazol-1-yl]benzonitrile
CID 118664208
1-(3-chloro-4-methylphenyl)-5-methylpyrazol-4-amine
CID 60866837
3-[5-amino-4-[1-[(3,4-dihydroxyphenyl)methylamino]ethenyl]pyrazol-1-yl]benzonitrile
CID 89160829
2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid
CID 10846907
N-(3-cyanophenyl)-5-methyl-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
CID 60615240
1-(3-cyanophenyl)-5-cyclopropylpyrazole-4-carboxylic acid
CID 43542935
5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile
CID 102795914
3-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 81138921
3-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]benzonitrile
CID 43543000

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-5-methylpyrazol-1-yl)benzonitrile?
The IUPAC name of 3-(4-amino-5-methylpyrazol-1-yl)benzonitrile (CID 60867380) is 3-(4-amino-5-methylpyrazol-1-yl)benzonitrile.
What is the SMILES notation for 3-(4-amino-5-methylpyrazol-1-yl)benzonitrile?
The canonical SMILES for 3-(4-amino-5-methylpyrazol-1-yl)benzonitrile is Cc1c(N)cnn1-c1cccc(C#N)c1.
What is the InChIKey of 3-(4-amino-5-methylpyrazol-1-yl)benzonitrile?
The InChIKey is FYXZDONQXXIPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-8-11(13)7-14-15(8)10-4-2-3-9(5-10)6-12/h2-5,7H,13H2,1H3.
What are the key properties of 3-(4-amino-5-methylpyrazol-1-yl)benzonitrile?
3-(4-amino-5-methylpyrazol-1-yl)benzonitrile has a molecular weight of 198.23 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-5-methylpyrazol-1-yl)benzonitrile is sourced from PubChem (CID 60867380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).