N-(2-imidazol-1-yl-1-phenylethyl)-3-pyrazol-1-ylbenzamide

C21H19N5O — CID 70720737

IUPACN-(2-imidazol-1-yl-1-phenylethyl)-3-pyrazol-1-ylbenzamide
SMILESO=C(NC(Cn1ccnc1)c1ccccc1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C21H19N5O/c27-21(18-8-4-9-19(14-18)26-12-5-10-23-26)24-20(15-25-13-11-22-16-25)17-6-2-1-3-7-17/h1-14,16,20H,15H2,(H,24,27)
InChIKeyXOPJDZYCKZQCOE-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.24
Rot. Bonds6

About N-(2-imidazol-1-yl-1-phenylethyl)-3-pyrazol-1-ylbenzamide

N-(2-imidazol-1-yl-1-phenylethyl)-3-pyrazol-1-ylbenzamide (PubChem CID 70720737) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-1-phenylethyl)-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-1-phenylethyl)-3-pyrazol-1-ylbenzamide
PubChem CID70720737
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(2-imidazol-1-yl-1-phenylethyl)-3-pyrazol-1-ylbenzamide
SMILESO=C(NC(Cn1ccnc1)c1ccccc1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C21H19N5O/c27-21(18-8-4-9-19(14-18)26-12-5-10-23-26)24-20(15-25-13-11-22-16-25)17-6-2-1-3-7-17/h1-14,16,20H,15H2,(H,24,27)
InChIKeyXOPJDZYCKZQCOE-UHFFFAOYSA-N
XLogP3.24
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)-3-pyrazol-1-ylbenzamide (CID 70720737) is N-(2-imidazol-1-yl-1-phenylethyl)-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(2-imidazol-1-yl-1-phenylethyl)-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(2-imidazol-1-yl-1-phenylethyl)-3-pyrazol-1-ylbenzamide is O=C(NC(Cn1ccnc1)c1ccccc1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-(2-imidazol-1-yl-1-phenylethyl)-3-pyrazol-1-ylbenzamide?
The InChIKey is XOPJDZYCKZQCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c27-21(18-8-4-9-19(14-18)26-12-5-10-23-26)24-20(15-25-13-11-22-16-25)17-6-2-1-3-7-17/h1-14,16,20H,15H2,(H,24,27).
What are the key properties of N-(2-imidazol-1-yl-1-phenylethyl)-3-pyrazol-1-ylbenzamide?
N-(2-imidazol-1-yl-1-phenylethyl)-3-pyrazol-1-ylbenzamide has a molecular weight of 357.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-1-phenylethyl)-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 70720737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).