3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine

C13H13N5 — CID 117350766

IUPAC3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2-c2ncc[nH]2)cc1N
InChIInChI=1S/C13H13N5/c1-18-12(14)8-11(17-18)9-4-2-3-5-10(9)13-15-6-7-16-13/h2-8H,14H2,1H3,(H,15,16)
InChIKeyOSKHYBDWSLJUML-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.06
Rot. Bonds2

About 3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine

3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117350766) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117350766
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2-c2ncc[nH]2)cc1N
InChIInChI=1S/C13H13N5/c1-18-12(14)8-11(17-18)9-4-2-3-5-10(9)13-15-6-7-16-13/h2-8H,14H2,1H3,(H,15,16)
InChIKeyOSKHYBDWSLJUML-UHFFFAOYSA-N
XLogP2.06
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine (CID 117350766) is 3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine is Cn1nc(-c2ccccc2-c2ncc[nH]2)cc1N.
What is the InChIKey of 3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is OSKHYBDWSLJUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18-12(14)8-11(17-18)9-4-2-3-5-10(9)13-15-6-7-16-13/h2-8H,14H2,1H3,(H,15,16).
What are the key properties of 3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine?
3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 239.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117350766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).