N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine

C15H17N5 — CID 106583004

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine
SMILESCn1nccc1CCNc1nccn1-c1ccccc1
InChIInChI=1S/C15H17N5/c1-19-13(8-10-18-19)7-9-16-15-17-11-12-20(15)14-5-3-2-4-6-14/h2-6,8,10-12H,7,9H2,1H3,(H,16,17)
InChIKeyFQUFXEKYMNGQDZ-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.26
Rot. Bonds5

About N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine

N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine (PubChem CID 106583004) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine
PubChem CID106583004
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine
SMILESCn1nccc1CCNc1nccn1-c1ccccc1
InChIInChI=1S/C15H17N5/c1-19-13(8-10-18-19)7-9-16-15-17-11-12-20(15)14-5-3-2-4-6-14/h2-6,8,10-12H,7,9H2,1H3,(H,16,17)
InChIKeyFQUFXEKYMNGQDZ-UHFFFAOYSA-N
XLogP2.26
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine (CID 106583004) is N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine is Cn1nccc1CCNc1nccn1-c1ccccc1.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine?
The InChIKey is FQUFXEKYMNGQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-19-13(8-10-18-19)7-9-16-15-17-11-12-20(15)14-5-3-2-4-6-14/h2-6,8,10-12H,7,9H2,1H3,(H,16,17).
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine?
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine has a molecular weight of 267.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylimidazol-2-amine is sourced from PubChem (CID 106583004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).