N-(5-ethyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide

C16H14FN5O2 — CID 166201146

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
SMILESCCc1cc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)n[nH]1
InChIInChI=1S/C16H14FN5O2/c1-2-11-9-14(20-19-11)18-16(24)15-13(23)7-8-22(21-15)12-5-3-10(17)4-6-12/h3-9H,2H2,1H3,(H2,18,19,20,24)
InChIKeyAMPIUCBHHLHRSC-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.91
Rot. Bonds4

About N-(5-ethyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide

N-(5-ethyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 166201146) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
PubChem CID166201146
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
SMILESCCc1cc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)n[nH]1
InChIInChI=1S/C16H14FN5O2/c1-2-11-9-14(20-19-11)18-16(24)15-13(23)7-8-22(21-15)12-5-3-10(17)4-6-12/h3-9H,2H2,1H3,(H2,18,19,20,24)
InChIKeyAMPIUCBHHLHRSC-UHFFFAOYSA-N
XLogP1.91
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide
CID 48507926
N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide
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N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide
CID 2745061
1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620412
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide
CID 103862758
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522
4-[(5-ethyl-1H-pyrazol-3-yl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 104617296
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
CID 104616117
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide (CID 166201146) is N-(5-ethyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide is CCc1cc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is AMPIUCBHHLHRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-2-11-9-14(20-19-11)18-16(24)15-13(23)7-8-22(21-15)12-5-3-10(17)4-6-12/h3-9H,2H2,1H3,(H2,18,19,20,24).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 166201146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).