N-(2-hydroxyethyl)-3-oxo-2-(1H-pyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide

C17H14F3N5O3 — CID 142411158

IUPACN-(2-hydroxyethyl)-3-oxo-2-(1H-pyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
SMILESO=C(NCCO)c1cc(-c2ccc(C(F)(F)F)cc2)nn(-c2cn[nH]c2)c1=O
InChIInChI=1S/C17H14F3N5O3/c18-17(19,20)11-3-1-10(2-4-11)14-7-13(15(27)21-5-6-26)16(28)25(24-14)12-8-22-23-9-12/h1-4,7-9,26H,5-6H2,(H,21,27)(H,22,23)
InChIKeyNMNNSELRWHVIJV-UHFFFAOYSA-N
MW393.33 g/mol
LogP1.36
Rot. Bonds5

About N-(2-hydroxyethyl)-3-oxo-2-(1H-pyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide

N-(2-hydroxyethyl)-3-oxo-2-(1H-pyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide (PubChem CID 142411158) has the molecular formula C17H14F3N5O3 and a molecular weight of 393.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-oxo-2-(1H-pyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-oxo-2-(1H-pyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
PubChem CID142411158
Molecular FormulaC17H14F3N5O3
Molecular Weight393.33 g/mol
Exact Mass393.10
IUPAC NameN-(2-hydroxyethyl)-3-oxo-2-(1H-pyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
SMILESO=C(NCCO)c1cc(-c2ccc(C(F)(F)F)cc2)nn(-c2cn[nH]c2)c1=O
InChIInChI=1S/C17H14F3N5O3/c18-17(19,20)11-3-1-10(2-4-11)14-7-13(15(27)21-5-6-26)16(28)25(24-14)12-8-22-23-9-12/h1-4,7-9,26H,5-6H2,(H,21,27)(H,22,23)
InChIKeyNMNNSELRWHVIJV-UHFFFAOYSA-N
XLogP1.36
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-oxo-2-(1H-pyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-oxo-2-(1H-pyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide (CID 142411158) is N-(2-hydroxyethyl)-3-oxo-2-(1H-pyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-oxo-2-(1H-pyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-oxo-2-(1H-pyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide is O=C(NCCO)c1cc(-c2ccc(C(F)(F)F)cc2)nn(-c2cn[nH]c2)c1=O.
What is the InChIKey of N-(2-hydroxyethyl)-3-oxo-2-(1H-pyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide?
The InChIKey is NMNNSELRWHVIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O3/c18-17(19,20)11-3-1-10(2-4-11)14-7-13(15(27)21-5-6-26)16(28)25(24-14)12-8-22-23-9-12/h1-4,7-9,26H,5-6H2,(H,21,27)(H,22,23).
What are the key properties of N-(2-hydroxyethyl)-3-oxo-2-(1H-pyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide?
N-(2-hydroxyethyl)-3-oxo-2-(1H-pyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide has a molecular weight of 393.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-oxo-2-(1H-pyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 142411158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).