N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide

C16H10FN7O — CID 71870126

IUPACN-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
SMILESN#Cc1nc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)[nH]c1C#N
InChIInChI=1S/C16H10FN7O/c17-10-1-3-12(4-2-10)24-6-5-11(23-24)7-15(25)22-16-20-13(8-18)14(9-19)21-16/h1-6H,7H2,(H2,20,21,22,25)
InChIKeyPRGNBJNPUKRNHB-UHFFFAOYSA-N
MW335.30 g/mol
LogP1.66
Rot. Bonds4

About N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide

N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide (PubChem CID 71870126) has the molecular formula C16H10FN7O and a molecular weight of 335.30 g/mol. Its IUPAC name is N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
PubChem CID71870126
Molecular FormulaC16H10FN7O
Molecular Weight335.30 g/mol
Exact Mass335.09
IUPAC NameN-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
SMILESN#Cc1nc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)[nH]c1C#N
InChIInChI=1S/C16H10FN7O/c17-10-1-3-12(4-2-10)24-6-5-11(23-24)7-15(25)22-16-20-13(8-18)14(9-19)21-16/h1-6H,7H2,(H2,20,21,22,25)
InChIKeyPRGNBJNPUKRNHB-UHFFFAOYSA-N
XLogP1.66
TPSA123.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide (CID 71870126) is N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide is N#Cc1nc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)[nH]c1C#N.
What is the InChIKey of N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The InChIKey is PRGNBJNPUKRNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN7O/c17-10-1-3-12(4-2-10)24-6-5-11(23-24)7-15(25)22-16-20-13(8-18)14(9-19)21-16/h1-6H,7H2,(H2,20,21,22,25).
What are the key properties of N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide has a molecular weight of 335.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 71870126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).