3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine

C11H11N5 — CID 103078998

IUPAC3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(-n2cnc3ccccc32)n1
InChIInChI=1S/C11H11N5/c1-15-6-8(12)11(14-15)16-7-13-9-4-2-3-5-10(9)16/h2-7H,12H2,1H3
InChIKeyRUTKFJYKWOVECY-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.34
Rot. Bonds1

About 3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine

3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine (PubChem CID 103078998) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine
PubChem CID103078998
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(-n2cnc3ccccc32)n1
InChIInChI=1S/C11H11N5/c1-15-6-8(12)11(14-15)16-7-13-9-4-2-3-5-10(9)16/h2-7H,12H2,1H3
InChIKeyRUTKFJYKWOVECY-UHFFFAOYSA-N
XLogP1.34
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine
CID 103079000
6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 80854160
2-(benzimidazol-1-yl)-3-methylquinoxaline
CID 115579889
5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43554355
6-(benzimidazol-1-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80992722
3,7,11-tris(benzimidazol-1-yl)-13-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
CID 58536544
4-(benzimidazol-1-yl)pyridin-3-amine
CID 28890030
6-(benzimidazol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80992517
6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
CID 19135352
4-(benzimidazol-1-yl)quinazolin-7-amine
CID 65336608
4-(benzimidazol-1-yl)-2-methoxyaniline
CID 63676519
1-(3-ethyl-2-pyridinyl)benzimidazole
CID 148503736

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine (CID 103078998) is 3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine is Cn1cc(N)c(-n2cnc3ccccc32)n1.
What is the InChIKey of 3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine?
The InChIKey is RUTKFJYKWOVECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-15-6-8(12)11(14-15)16-7-13-9-4-2-3-5-10(9)16/h2-7H,12H2,1H3.
What are the key properties of 3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine?
3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine has a molecular weight of 213.24 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 103078998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).