4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine

C12H13N5S — CID 102199414

IUPAC4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine
SMILESCSc1nn(C)c(N)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C12H13N5S/c1-17-10(13)9(12(16-17)18-2)11-14-7-5-3-4-6-8(7)15-11/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyCBQZGLBUYQXRKE-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.27
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine

4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine (PubChem CID 102199414) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine
PubChem CID102199414
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine
SMILESCSc1nn(C)c(N)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C12H13N5S/c1-17-10(13)9(12(16-17)18-2)11-14-7-5-3-4-6-8(7)15-11/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyCBQZGLBUYQXRKE-UHFFFAOYSA-N
XLogP2.27
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine (CID 102199414) is 4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine is CSc1nn(C)c(N)c1-c1nc2ccccc2[nH]1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine?
The InChIKey is CBQZGLBUYQXRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-17-10(13)9(12(16-17)18-2)11-14-7-5-3-4-6-8(7)15-11/h3-6H,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine?
4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine has a molecular weight of 259.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine is sourced from PubChem (CID 102199414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).