2-amino-N-(4-imidazol-1-yl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide

C17H20N6O — CID 166371197

IUPAC2-amino-N-(4-imidazol-1-yl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCc1cc(NC(=O)C(N)Cc2cnn(C)c2)ccc1-n1ccnc1
InChIInChI=1S/C17H20N6O/c1-12-7-14(3-4-16(12)23-6-5-19-11-23)21-17(24)15(18)8-13-9-20-22(2)10-13/h3-7,9-11,15H,8,18H2,1-2H3,(H,21,24)
InChIKeyAPZAFRGBOLRZSP-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.42
Rot. Bonds5

About 2-amino-N-(4-imidazol-1-yl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide

2-amino-N-(4-imidazol-1-yl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 166371197) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-amino-N-(4-imidazol-1-yl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(4-imidazol-1-yl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID166371197
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-amino-N-(4-imidazol-1-yl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCc1cc(NC(=O)C(N)Cc2cnn(C)c2)ccc1-n1ccnc1
InChIInChI=1S/C17H20N6O/c1-12-7-14(3-4-16(12)23-6-5-19-11-23)21-17(24)15(18)8-13-9-20-22(2)10-13/h3-7,9-11,15H,8,18H2,1-2H3,(H,21,24)
InChIKeyAPZAFRGBOLRZSP-UHFFFAOYSA-N
XLogP1.42
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-imidazol-1-yl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of 2-amino-N-(4-imidazol-1-yl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide (CID 166371197) is 2-amino-N-(4-imidazol-1-yl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-amino-N-(4-imidazol-1-yl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-amino-N-(4-imidazol-1-yl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide is Cc1cc(NC(=O)C(N)Cc2cnn(C)c2)ccc1-n1ccnc1.
What is the InChIKey of 2-amino-N-(4-imidazol-1-yl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is APZAFRGBOLRZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-7-14(3-4-16(12)23-6-5-19-11-23)21-17(24)15(18)8-13-9-20-22(2)10-13/h3-7,9-11,15H,8,18H2,1-2H3,(H,21,24).
What are the key properties of 2-amino-N-(4-imidazol-1-yl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
2-amino-N-(4-imidazol-1-yl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 324.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-imidazol-1-yl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 166371197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).