5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile

C14H12N6 — CID 102795914

IUPAC5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile
SMILESN#Cc1cccc(-n2nc(NC3CC3)c(C#N)c2N)c1
InChIInChI=1S/C14H12N6/c15-7-9-2-1-3-11(6-9)20-13(17)12(8-16)14(19-20)18-10-4-5-10/h1-3,6,10H,4-5,17H2,(H,18,19)
InChIKeyZOVMEZOFTYPZKI-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.77
Rot. Bonds3

About 5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile

5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile (PubChem CID 102795914) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile
PubChem CID102795914
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile
SMILESN#Cc1cccc(-n2nc(NC3CC3)c(C#N)c2N)c1
InChIInChI=1S/C14H12N6/c15-7-9-2-1-3-11(6-9)20-13(17)12(8-16)14(19-20)18-10-4-5-10/h1-3,6,10H,4-5,17H2,(H,18,19)
InChIKeyZOVMEZOFTYPZKI-UHFFFAOYSA-N
XLogP1.77
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile (CID 102795914) is 5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile is N#Cc1cccc(-n2nc(NC3CC3)c(C#N)c2N)c1.
What is the InChIKey of 5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile?
The InChIKey is ZOVMEZOFTYPZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c15-7-9-2-1-3-11(6-9)20-13(17)12(8-16)14(19-20)18-10-4-5-10/h1-3,6,10H,4-5,17H2,(H,18,19).
What are the key properties of 5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile?
5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).