1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C15H18F3N5O2 — CID 36701571

IUPAC1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCCCCNC(=O)c1cnn(-c2ccc(OC)nn2)c1C(F)(F)F
InChIInChI=1S/C15H18F3N5O2/c1-3-4-5-8-19-14(24)10-9-20-23(13(10)15(16,17)18)11-6-7-12(25-2)22-21-11/h6-7,9H,3-5,8H2,1-2H3,(H,19,24)
InChIKeyURELWLNKPGGRJU-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.61
Rot. Bonds7

About 1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 36701571) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is 1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID36701571
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC Name1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCCCCNC(=O)c1cnn(-c2ccc(OC)nn2)c1C(F)(F)F
InChIInChI=1S/C15H18F3N5O2/c1-3-4-5-8-19-14(24)10-9-20-23(13(10)15(16,17)18)11-6-7-12(25-2)22-21-11/h6-7,9H,3-5,8H2,1-2H3,(H,19,24)
InChIKeyURELWLNKPGGRJU-UHFFFAOYSA-N
XLogP2.61
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]hexanoate
CID 46491304
1-(6-methoxypyridazin-3-yl)-N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55555860
N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39489825
1-(6-methoxypyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46407497
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56578128
N-[[4-(ethoxymethyl)phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 37357760
1-(6-methoxypyridazin-3-yl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55721930
N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46530877
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 60569232
N-[(3-bromo-5-fluorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55907787
1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46634730
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46556912

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 36701571) is 1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CCCCCNC(=O)c1cnn(-c2ccc(OC)nn2)c1C(F)(F)F.
What is the InChIKey of 1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is URELWLNKPGGRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c1-3-4-5-8-19-14(24)10-9-20-23(13(10)15(16,17)18)11-6-7-12(25-2)22-21-11/h6-7,9H,3-5,8H2,1-2H3,(H,19,24).
What are the key properties of 1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 357.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 36701571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).