2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]-2-phenylethanamine

C15H17N5 — CID 62877346

IUPAC2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]-2-phenylethanamine
SMILESCn1cc(-c2cnc(C(CN)c3ccccc3)[nH]2)cn1
InChIInChI=1S/C15H17N5/c1-20-10-12(8-18-20)14-9-17-15(19-14)13(7-16)11-5-3-2-4-6-11/h2-6,8-10,13H,7,16H2,1H3,(H,17,19)
InChIKeyIUDZSNCZCWGEGE-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.90
Rot. Bonds4

About 2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]-2-phenylethanamine

2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]-2-phenylethanamine (PubChem CID 62877346) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]-2-phenylethanamine.

Molecular Properties

Compound Name2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]-2-phenylethanamine
PubChem CID62877346
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]-2-phenylethanamine
SMILESCn1cc(-c2cnc(C(CN)c3ccccc3)[nH]2)cn1
InChIInChI=1S/C15H17N5/c1-20-10-12(8-18-20)14-9-17-15(19-14)13(7-16)11-5-3-2-4-6-11/h2-6,8-10,13H,7,16H2,1H3,(H,17,19)
InChIKeyIUDZSNCZCWGEGE-UHFFFAOYSA-N
XLogP1.90
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]-2-phenylethanamine?
The IUPAC name of 2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]-2-phenylethanamine (CID 62877346) is 2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]-2-phenylethanamine.
What is the SMILES notation for 2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]-2-phenylethanamine?
The canonical SMILES for 2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]-2-phenylethanamine is Cn1cc(-c2cnc(C(CN)c3ccccc3)[nH]2)cn1.
What is the InChIKey of 2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]-2-phenylethanamine?
The InChIKey is IUDZSNCZCWGEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-20-10-12(8-18-20)14-9-17-15(19-14)13(7-16)11-5-3-2-4-6-11/h2-6,8-10,13H,7,16H2,1H3,(H,17,19).
What are the key properties of 2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]-2-phenylethanamine?
2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]-2-phenylethanamine has a molecular weight of 267.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methylpyrazol-4-yl)-1H-imidazol-2-yl]-2-phenylethanamine is sourced from PubChem (CID 62877346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).