5-amino-1-[4-(3-aminoprop-1-enyl)phenyl]pyrazole-4-carbonitrile

C13H13N5 — CID 169464456

IUPAC5-amino-1-[4-(3-aminoprop-1-enyl)phenyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccc(C=CCN)cc2)c1N
InChIInChI=1S/C13H13N5/c14-7-1-2-10-3-5-12(6-4-10)18-13(16)11(8-15)9-17-18/h1-6,9H,7,14,16H2
InChIKeyPEPAZSBNYQKTJV-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.30
Rot. Bonds3

About 5-amino-1-[4-(3-aminoprop-1-enyl)phenyl]pyrazole-4-carbonitrile

5-amino-1-[4-(3-aminoprop-1-enyl)phenyl]pyrazole-4-carbonitrile (PubChem CID 169464456) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-amino-1-[4-(3-aminoprop-1-enyl)phenyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[4-(3-aminoprop-1-enyl)phenyl]pyrazole-4-carbonitrile
PubChem CID169464456
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name5-amino-1-[4-(3-aminoprop-1-enyl)phenyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccc(C=CCN)cc2)c1N
InChIInChI=1S/C13H13N5/c14-7-1-2-10-3-5-12(6-4-10)18-13(16)11(8-15)9-17-18/h1-6,9H,7,14,16H2
InChIKeyPEPAZSBNYQKTJV-UHFFFAOYSA-N
XLogP1.30
TPSA93.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-(3-aminoprop-1-enyl)phenyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[4-(3-aminoprop-1-enyl)phenyl]pyrazole-4-carbonitrile (CID 169464456) is 5-amino-1-[4-(3-aminoprop-1-enyl)phenyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[4-(3-aminoprop-1-enyl)phenyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[4-(3-aminoprop-1-enyl)phenyl]pyrazole-4-carbonitrile is N#Cc1cnn(-c2ccc(C=CCN)cc2)c1N.
What is the InChIKey of 5-amino-1-[4-(3-aminoprop-1-enyl)phenyl]pyrazole-4-carbonitrile?
The InChIKey is PEPAZSBNYQKTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c14-7-1-2-10-3-5-12(6-4-10)18-13(16)11(8-15)9-17-18/h1-6,9H,7,14,16H2.
What are the key properties of 5-amino-1-[4-(3-aminoprop-1-enyl)phenyl]pyrazole-4-carbonitrile?
5-amino-1-[4-(3-aminoprop-1-enyl)phenyl]pyrazole-4-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-(3-aminoprop-1-enyl)phenyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 169464456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).