2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile

C13H12N4 — CID 115499705

IUPAC2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile
SMILESN#Cc1cc(-n2ccc(C3CC3)n2)ccc1N
InChIInChI=1S/C13H12N4/c14-8-10-7-11(3-4-12(10)15)17-6-5-13(16-17)9-1-2-9/h3-7,9H,1-2,15H2
InChIKeyMIAFSZXZLYRNES-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.20
Rot. Bonds2

About 2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile

2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile (PubChem CID 115499705) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile
PubChem CID115499705
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile
SMILESN#Cc1cc(-n2ccc(C3CC3)n2)ccc1N
InChIInChI=1S/C13H12N4/c14-8-10-7-11(3-4-12(10)15)17-6-5-13(16-17)9-1-2-9/h3-7,9H,1-2,15H2
InChIKeyMIAFSZXZLYRNES-UHFFFAOYSA-N
XLogP2.20
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile?
The IUPAC name of 2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile (CID 115499705) is 2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile.
What is the SMILES notation for 2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile?
The canonical SMILES for 2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile is N#Cc1cc(-n2ccc(C3CC3)n2)ccc1N.
What is the InChIKey of 2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile?
The InChIKey is MIAFSZXZLYRNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-8-10-7-11(3-4-12(10)15)17-6-5-13(16-17)9-1-2-9/h3-7,9H,1-2,15H2.
What are the key properties of 2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile?
2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile has a molecular weight of 224.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile is sourced from PubChem (CID 115499705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).