5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine

C12H13N5 — CID 43554355

IUPAC5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(-n2cnc3ccccc32)c1N
InChIInChI=1S/C12H13N5/c1-8-11(13)12(16(2)15-8)17-7-14-9-5-3-4-6-10(9)17/h3-7H,13H2,1-2H3
InChIKeyJTRPNHCOCHLANF-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.65
Rot. Bonds1

About 5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine

5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine (PubChem CID 43554355) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine
PubChem CID43554355
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(-n2cnc3ccccc32)c1N
InChIInChI=1S/C12H13N5/c1-8-11(13)12(16(2)15-8)17-7-14-9-5-3-4-6-10(9)17/h3-7H,13H2,1-2H3
InChIKeyJTRPNHCOCHLANF-UHFFFAOYSA-N
XLogP1.65
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine (CID 43554355) is 5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(-n2cnc3ccccc32)c1N.
What is the InChIKey of 5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is JTRPNHCOCHLANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-8-11(13)12(16(2)15-8)17-7-14-9-5-3-4-6-10(9)17/h3-7H,13H2,1-2H3.
What are the key properties of 5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine?
5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 227.27 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 43554355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).