N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide

C18H18FN5O2 — CID 56685778

IUPACN-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide
SMILESO=C(Cc1n[nH]c(=O)c2cc(-c3ccc(F)cc3)nn12)NC1CCCC1
InChIInChI=1S/C18H18FN5O2/c19-12-7-5-11(6-8-12)14-9-15-18(26)22-21-16(24(15)23-14)10-17(25)20-13-3-1-2-4-13/h5-9,13H,1-4,10H2,(H,20,25)(H,22,26)
InChIKeyHRYQZHHDNHJJPF-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.83
Rot. Bonds4

About N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide

N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide (PubChem CID 56685778) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide
PubChem CID56685778
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide
SMILESO=C(Cc1n[nH]c(=O)c2cc(-c3ccc(F)cc3)nn12)NC1CCCC1
InChIInChI=1S/C18H18FN5O2/c19-12-7-5-11(6-8-12)14-9-15-18(26)22-21-16(24(15)23-14)10-17(25)20-13-3-1-2-4-13/h5-9,13H,1-4,10H2,(H,20,25)(H,22,26)
InChIKeyHRYQZHHDNHJJPF-UHFFFAOYSA-N
XLogP1.83
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]-N-propan-2-ylacetamide
CID 56685776
N-cyclopentyl-2-[[2-(4-ethylphenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]acetamide
CID 50771831
N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224412
N-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685662
N-cyclopentyl-2-[(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 50771953
N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685675
N-cyclohexyl-2-[[2-(furan-2-yl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]acetamide
CID 27373732
2-[[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]-N-phenylacetamide
CID 50771589
N-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 155976929
N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514437
2-[[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 50771608
N-(4-chlorophenyl)-2-[[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]acetamide
CID 50771626

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide (CID 56685778) is N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide is O=C(Cc1n[nH]c(=O)c2cc(-c3ccc(F)cc3)nn12)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide?
The InChIKey is HRYQZHHDNHJJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c19-12-7-5-11(6-8-12)14-9-15-18(26)22-21-16(24(15)23-14)10-17(25)20-13-3-1-2-4-13/h5-9,13H,1-4,10H2,(H,20,25)(H,22,26).
What are the key properties of N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide?
N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide has a molecular weight of 355.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide is sourced from PubChem (CID 56685778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).