N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide

C19H20F6N6O — CID 122342618

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCN(C)c1cnnc(N2CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C19H20F6N6O/c1-29(2)15-10-16(28-26-11-15)30-3-5-31(6-4-30)17(32)27-14-8-12(18(20,21)22)7-13(9-14)19(23,24)25/h7-11H,3-6H2,1-2H3,(H,27,32)
InChIKeyWFYITJFMUWDZQB-UHFFFAOYSA-N
MW462.40 g/mol
LogP3.93
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 122342618) has the molecular formula C19H20F6N6O and a molecular weight of 462.40 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID122342618
Molecular FormulaC19H20F6N6O
Molecular Weight462.40 g/mol
Exact Mass462.16
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESCN(C)c1cnnc(N2CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C19H20F6N6O/c1-29(2)15-10-16(28-26-11-15)30-3-5-31(6-4-30)17(32)27-14-8-12(18(20,21)22)7-13(9-14)19(23,24)25/h7-11H,3-6H2,1-2H3,(H,27,32)
InChIKeyWFYITJFMUWDZQB-UHFFFAOYSA-N
XLogP3.93
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(dimethylamino)pyridazin-3-yl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 91968747
4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 91968748
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 122340217
N-(2,5-difluorophenyl)-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122342617
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335459
N-[3,5-bis(trifluoromethyl)phenyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122343039
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 71807486
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336625
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122344066
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea
CID 122321905
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chloro-1,2,5-thiadiazol-3-yl)piperazine-1-carboxamide
CID 59013796
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122347323

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide (CID 122342618) is N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide is CN(C)c1cnnc(N2CCN(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is WFYITJFMUWDZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F6N6O/c1-29(2)15-10-16(28-26-11-15)30-3-5-31(6-4-30)17(32)27-14-8-12(18(20,21)22)7-13(9-14)19(23,24)25/h7-11H,3-6H2,1-2H3,(H,27,32).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 462.40 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122342618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).