1-(1-methylpyrazol-4-yl)-N-phenylimidazol-2-amine

C13H13N5 — CID 106562100

IUPAC1-(1-methylpyrazol-4-yl)-N-phenylimidazol-2-amine
SMILESCn1cc(-n2ccnc2Nc2ccccc2)cn1
InChIInChI=1S/C13H13N5/c1-17-10-12(9-15-17)18-8-7-14-13(18)16-11-5-3-2-4-6-11/h2-10H,1H3,(H,14,16)
InChIKeyWKQROQXWFBZXFJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.35
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-N-phenylimidazol-2-amine

1-(1-methylpyrazol-4-yl)-N-phenylimidazol-2-amine (PubChem CID 106562100) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-N-phenylimidazol-2-amine
PubChem CID106562100
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name1-(1-methylpyrazol-4-yl)-N-phenylimidazol-2-amine
SMILESCn1cc(-n2ccnc2Nc2ccccc2)cn1
InChIInChI=1S/C13H13N5/c1-17-10-12(9-15-17)18-8-7-14-13(18)16-11-5-3-2-4-6-11/h2-10H,1H3,(H,14,16)
InChIKeyWKQROQXWFBZXFJ-UHFFFAOYSA-N
XLogP2.35
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-N-phenylimidazol-2-amine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-N-phenylimidazol-2-amine (CID 106562100) is 1-(1-methylpyrazol-4-yl)-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-N-phenylimidazol-2-amine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-N-phenylimidazol-2-amine is Cn1cc(-n2ccnc2Nc2ccccc2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-N-phenylimidazol-2-amine?
The InChIKey is WKQROQXWFBZXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-17-10-12(9-15-17)18-8-7-14-13(18)16-11-5-3-2-4-6-11/h2-10H,1H3,(H,14,16).
What are the key properties of 1-(1-methylpyrazol-4-yl)-N-phenylimidazol-2-amine?
1-(1-methylpyrazol-4-yl)-N-phenylimidazol-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-N-phenylimidazol-2-amine is sourced from PubChem (CID 106562100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).