3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine

C13H15N5 — CID 117355382

IUPAC3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2N2C=NCC2)cc1N
InChIInChI=1S/C13H15N5/c1-17-13(14)8-11(16-17)10-4-2-3-5-12(10)18-7-6-15-9-18/h2-5,8-9H,6-7,14H2,1H3
InChIKeyWLGBDKPUHYTQPR-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.52
Rot. Bonds2

About 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine

3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117355382) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117355382
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2N2C=NCC2)cc1N
InChIInChI=1S/C13H15N5/c1-17-13(14)8-11(16-17)10-4-2-3-5-12(10)18-7-6-15-9-18/h2-5,8-9H,6-7,14H2,1H3
InChIKeyWLGBDKPUHYTQPR-UHFFFAOYSA-N
XLogP1.52
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine (CID 117355382) is 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine is Cn1nc(-c2ccccc2N2C=NCC2)cc1N.
What is the InChIKey of 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is WLGBDKPUHYTQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-17-13(14)8-11(16-17)10-4-2-3-5-12(10)18-7-6-15-9-18/h2-5,8-9H,6-7,14H2,1H3.
What are the key properties of 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine?
3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 241.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-dihydroimidazol-1-yl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117355382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).