5-amino-1-phenylpyrazole-3,4-dicarbonitrile

C11H7N5 — CID 767375

IUPAC5-amino-1-phenylpyrazole-3,4-dicarbonitrile
SMILESN#Cc1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C11H7N5/c12-6-9-10(7-13)15-16(11(9)14)8-4-2-1-3-5-8/h1-5H,14H2
InChIKeyMGULYLNXXBGXJR-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.20
Rot. Bonds1

About 5-amino-1-phenylpyrazole-3,4-dicarbonitrile

5-amino-1-phenylpyrazole-3,4-dicarbonitrile (PubChem CID 767375) has the molecular formula C11H7N5 and a molecular weight of 209.21 g/mol. Its IUPAC name is 5-amino-1-phenylpyrazole-3,4-dicarbonitrile.

Molecular Properties

Compound Name5-amino-1-phenylpyrazole-3,4-dicarbonitrile
PubChem CID767375
Molecular FormulaC11H7N5
Molecular Weight209.21 g/mol
Exact Mass209.07
IUPAC Name5-amino-1-phenylpyrazole-3,4-dicarbonitrile
SMILESN#Cc1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C11H7N5/c12-6-9-10(7-13)15-16(11(9)14)8-4-2-1-3-5-8/h1-5H,14H2
InChIKeyMGULYLNXXBGXJR-UHFFFAOYSA-N
XLogP1.20
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-phenylpyrazole-3,4-dicarbonitrile?
The IUPAC name of 5-amino-1-phenylpyrazole-3,4-dicarbonitrile (CID 767375) is 5-amino-1-phenylpyrazole-3,4-dicarbonitrile.
What is the SMILES notation for 5-amino-1-phenylpyrazole-3,4-dicarbonitrile?
The canonical SMILES for 5-amino-1-phenylpyrazole-3,4-dicarbonitrile is N#Cc1nn(-c2ccccc2)c(N)c1C#N.
What is the InChIKey of 5-amino-1-phenylpyrazole-3,4-dicarbonitrile?
The InChIKey is MGULYLNXXBGXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5/c12-6-9-10(7-13)15-16(11(9)14)8-4-2-1-3-5-8/h1-5H,14H2.
What are the key properties of 5-amino-1-phenylpyrazole-3,4-dicarbonitrile?
5-amino-1-phenylpyrazole-3,4-dicarbonitrile has a molecular weight of 209.21 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-phenylpyrazole-3,4-dicarbonitrile is sourced from PubChem (CID 767375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).