3-(3-imidazol-1-ylphenyl)-1-methylpyrazol-5-amine

C13H13N5 — CID 117350770

IUPAC3-(3-imidazol-1-ylphenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cccc(-n3ccnc3)c2)cc1N
InChIInChI=1S/C13H13N5/c1-17-13(14)8-12(16-17)10-3-2-4-11(7-10)18-6-5-15-9-18/h2-9H,14H2,1H3
InChIKeyQMHQBXVWUGILJQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.86
Rot. Bonds2

About 3-(3-imidazol-1-ylphenyl)-1-methylpyrazol-5-amine

3-(3-imidazol-1-ylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117350770) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-imidazol-1-ylphenyl)-1-methylpyrazol-5-amine
PubChem CID117350770
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-(3-imidazol-1-ylphenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cccc(-n3ccnc3)c2)cc1N
InChIInChI=1S/C13H13N5/c1-17-13(14)8-12(16-17)10-3-2-4-11(7-10)18-6-5-15-9-18/h2-9H,14H2,1H3
InChIKeyQMHQBXVWUGILJQ-UHFFFAOYSA-N
XLogP1.86
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-imidazol-1-ylphenyl)-1-methylpyrazol-5-amine (CID 117350770) is 3-(3-imidazol-1-ylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-imidazol-1-ylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-imidazol-1-ylphenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2cccc(-n3ccnc3)c2)cc1N.
What is the InChIKey of 3-(3-imidazol-1-ylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is QMHQBXVWUGILJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-17-13(14)8-12(16-17)10-3-2-4-11(7-10)18-6-5-15-9-18/h2-9H,14H2,1H3.
What are the key properties of 3-(3-imidazol-1-ylphenyl)-1-methylpyrazol-5-amine?
3-(3-imidazol-1-ylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 239.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117350770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).