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

C15H15FN6O — CID 155947299

IUPACN-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
SMILESCCc1nc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)n[nH]1
InChIInChI=1S/C15H15FN6O/c1-2-13-17-15(20-19-13)18-14(23)9-11-7-8-22(21-11)12-5-3-10(16)4-6-12/h3-8H,2,9H2,1H3,(H2,17,18,19,20,23)
InChIKeyPHFCAEHOLAFDKM-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.87
Rot. Bonds5

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

N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide (PubChem CID 155947299) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
PubChem CID155947299
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC NameN-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
SMILESCCc1nc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)n[nH]1
InChIInChI=1S/C15H15FN6O/c1-2-13-17-15(20-19-13)18-14(23)9-11-7-8-22(21-11)12-5-3-10(16)4-6-12/h3-8H,2,9H2,1H3,(H2,17,18,19,20,23)
InChIKeyPHFCAEHOLAFDKM-UHFFFAOYSA-N
XLogP1.87
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide (CID 155947299) is N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide is CCc1nc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The InChIKey is PHFCAEHOLAFDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O/c1-2-13-17-15(20-19-13)18-14(23)9-11-7-8-22(21-11)12-5-3-10(16)4-6-12/h3-8H,2,9H2,1H3,(H2,17,18,19,20,23).
What are the key properties of N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide has a molecular weight of 314.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 155947299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).