3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine

C19H23N5O — CID 113463505

IUPAC3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine
SMILESCOc1c(-c2nc(C3CC3)n(Cc3ccccc3)c2N)c(C)nn1C
InChIInChI=1S/C19H23N5O/c1-12-15(19(25-3)23(2)22-12)16-17(20)24(18(21-16)14-9-10-14)11-13-7-5-4-6-8-13/h4-8,14H,9-11,20H2,1-3H3
InChIKeyYLQICUAVJXKJLT-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.11
Rot. Bonds5

About 3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine

3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine (PubChem CID 113463505) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine
PubChem CID113463505
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine
SMILESCOc1c(-c2nc(C3CC3)n(Cc3ccccc3)c2N)c(C)nn1C
InChIInChI=1S/C19H23N5O/c1-12-15(19(25-3)23(2)22-12)16-17(20)24(18(21-16)14-9-10-14)11-13-7-5-4-6-8-13/h4-8,14H,9-11,20H2,1-3H3
InChIKeyYLQICUAVJXKJLT-UHFFFAOYSA-N
XLogP3.11
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-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-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine?
The IUPAC name of 3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine (CID 113463505) is 3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine.
What is the SMILES notation for 3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine?
The canonical SMILES for 3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine is COc1c(-c2nc(C3CC3)n(Cc3ccccc3)c2N)c(C)nn1C.
What is the InChIKey of 3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine?
The InChIKey is YLQICUAVJXKJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-15(19(25-3)23(2)22-12)16-17(20)24(18(21-16)14-9-10-14)11-13-7-5-4-6-8-13/h4-8,14H,9-11,20H2,1-3H3.
What are the key properties of 3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine?
3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine has a molecular weight of 337.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-cyclopropyl-5-(5-methoxy-1,3-dimethylpyrazol-4-yl)imidazol-4-amine is sourced from PubChem (CID 113463505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).