N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide

C18H20ClF3N6O — CID 122350668

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCCNc1ccc(N2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C18H20ClF3N6O/c1-2-23-15-5-6-16(26-25-15)27-7-9-28(10-8-27)17(29)24-12-3-4-14(19)13(11-12)18(20,21)22/h3-6,11H,2,7-10H2,1H3,(H,23,25)(H,24,29)
InChIKeyRHZILOIKWUSCAX-UHFFFAOYSA-N
MW428.85 g/mol
LogP3.93
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 122350668) has the molecular formula C18H20ClF3N6O and a molecular weight of 428.85 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID122350668
Molecular FormulaC18H20ClF3N6O
Molecular Weight428.85 g/mol
Exact Mass428.13
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCCNc1ccc(N2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C18H20ClF3N6O/c1-2-23-15-5-6-16(26-25-15)27-7-9-28(10-8-27)17(29)24-12-3-4-14(19)13(11-12)18(20,21)22/h3-6,11H,2,7-10H2,1H3,(H,23,25)(H,24,29)
InChIKeyRHZILOIKWUSCAX-UHFFFAOYSA-N
XLogP3.93
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.85
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334296
N-(4-tert-butylphenyl)-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122350969
4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122350650
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56919783
4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122350638
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122348611
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 91969033
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112603
(4-chlorophenyl)-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122350587
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106223
3-(3-chloro-4-fluorophenyl)-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122350889
3-cyclopentyl-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122350751

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide (CID 122350668) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide is CCNc1ccc(N2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)nn1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is RHZILOIKWUSCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N6O/c1-2-23-15-5-6-16(26-25-15)27-7-9-28(10-8-27)17(29)24-12-3-4-14(19)13(11-12)18(20,21)22/h3-6,11H,2,7-10H2,1H3,(H,23,25)(H,24,29).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 428.85 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(ethylamino)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122350668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).