3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine

C16H19N5 — CID 115990627

IUPAC3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine
SMILESCCc1nn(C)cc1-c1ncn(Cc2ccccc2)c1N
InChIInChI=1S/C16H19N5/c1-3-14-13(10-20(2)19-14)15-16(17)21(11-18-15)9-12-7-5-4-6-8-12/h4-8,10-11H,3,9,17H2,1-2H3
InChIKeyLZRPWFAPNGWDFC-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.48
Rot. Bonds4

About 3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine

3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine (PubChem CID 115990627) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine
PubChem CID115990627
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine
SMILESCCc1nn(C)cc1-c1ncn(Cc2ccccc2)c1N
InChIInChI=1S/C16H19N5/c1-3-14-13(10-20(2)19-14)15-16(17)21(11-18-15)9-12-7-5-4-6-8-12/h4-8,10-11H,3,9,17H2,1-2H3
InChIKeyLZRPWFAPNGWDFC-UHFFFAOYSA-N
XLogP2.48
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine?
The IUPAC name of 3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine (CID 115990627) is 3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine.
What is the SMILES notation for 3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine?
The canonical SMILES for 3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine is CCc1nn(C)cc1-c1ncn(Cc2ccccc2)c1N.
What is the InChIKey of 3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine?
The InChIKey is LZRPWFAPNGWDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-3-14-13(10-20(2)19-14)15-16(17)21(11-18-15)9-12-7-5-4-6-8-12/h4-8,10-11H,3,9,17H2,1-2H3.
What are the key properties of 3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine?
3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine has a molecular weight of 281.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-amine is sourced from PubChem (CID 115990627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).