N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C16H11F4N5O2 — CID 46530877

IUPACN-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)Nc3ccccc3F)c2C(F)(F)F)nn1
InChIInChI=1S/C16H11F4N5O2/c1-27-13-7-6-12(23-24-13)25-14(16(18,19)20)9(8-21-25)15(26)22-11-5-3-2-4-10(11)17/h2-8H,1H3,(H,22,26)
InChIKeyHJIUZRNDPFBULF-UHFFFAOYSA-N
MW381.29 g/mol
LogP3.08
Rot. Bonds4

About N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 46530877) has the molecular formula C16H11F4N5O2 and a molecular weight of 381.29 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID46530877
Molecular FormulaC16H11F4N5O2
Molecular Weight381.29 g/mol
Exact Mass381.08
IUPAC NameN-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)Nc3ccccc3F)c2C(F)(F)F)nn1
InChIInChI=1S/C16H11F4N5O2/c1-27-13-7-6-12(23-24-13)25-14(16(18,19)20)9(8-21-25)15(26)22-11-5-3-2-4-10(11)17/h2-8H,1H3,(H,22,26)
InChIKeyHJIUZRNDPFBULF-UHFFFAOYSA-N
XLogP3.08
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 46530877) is N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccc(-n2ncc(C(=O)Nc3ccccc3F)c2C(F)(F)F)nn1.
What is the InChIKey of N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is HJIUZRNDPFBULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N5O2/c1-27-13-7-6-12(23-24-13)25-14(16(18,19)20)9(8-21-25)15(26)22-11-5-3-2-4-10(11)17/h2-8H,1H3,(H,22,26).
What are the key properties of N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 381.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46530877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).