5-amino-1-methyl-3-phenylpyrazole-4-carbonitrile

C11H10N4 — CID 899881

IUPAC5-amino-1-methyl-3-phenylpyrazole-4-carbonitrile
SMILESCn1nc(-c2ccccc2)c(C#N)c1N
InChIInChI=1S/C11H10N4/c1-15-11(13)9(7-12)10(14-15)8-5-3-2-4-6-8/h2-6H,13H2,1H3
InChIKeyJIZAYZGRESTJAW-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.54
Rot. Bonds1

About 5-amino-1-methyl-3-phenylpyrazole-4-carbonitrile

5-amino-1-methyl-3-phenylpyrazole-4-carbonitrile (PubChem CID 899881) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-amino-1-methyl-3-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-methyl-3-phenylpyrazole-4-carbonitrile
PubChem CID899881
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name5-amino-1-methyl-3-phenylpyrazole-4-carbonitrile
SMILESCn1nc(-c2ccccc2)c(C#N)c1N
InChIInChI=1S/C11H10N4/c1-15-11(13)9(7-12)10(14-15)8-5-3-2-4-6-8/h2-6H,13H2,1H3
InChIKeyJIZAYZGRESTJAW-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-3-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-methyl-3-phenylpyrazole-4-carbonitrile (CID 899881) is 5-amino-1-methyl-3-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-methyl-3-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-methyl-3-phenylpyrazole-4-carbonitrile is Cn1nc(-c2ccccc2)c(C#N)c1N.
What is the InChIKey of 5-amino-1-methyl-3-phenylpyrazole-4-carbonitrile?
The InChIKey is JIZAYZGRESTJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-15-11(13)9(7-12)10(14-15)8-5-3-2-4-6-8/h2-6H,13H2,1H3.
What are the key properties of 5-amino-1-methyl-3-phenylpyrazole-4-carbonitrile?
5-amino-1-methyl-3-phenylpyrazole-4-carbonitrile has a molecular weight of 198.23 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-3-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 899881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).