N-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide

C19H20F3N5O — CID 155701537

IUPACN-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(C2CC2)cc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)16-7-8-17(25-24-16)26-9-11-27(12-10-26)18(28)23-15-5-3-14(4-6-15)13-1-2-13/h3-8,13H,1-2,9-12H2,(H,23,28)
InChIKeyGXALDKGDDKDUFP-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.73
Rot. Bonds3

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

N-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 155701537) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is N-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID155701537
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC NameN-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(C2CC2)cc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)16-7-8-17(25-24-16)26-9-11-27(12-10-26)18(28)23-15-5-3-14(4-6-15)13-1-2-13/h3-8,13H,1-2,9-12H2,(H,23,28)
InChIKeyGXALDKGDDKDUFP-UHFFFAOYSA-N
XLogP3.73
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl piperazine-1-carboxylate;3-chloro-6-(trifluoromethyl)pyridazine;1-cyclopropyl-4-methylbenzene;N-(4-cyclopropylphenyl)piperazine-1-carboxamide;N-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide
CID 165044097
cyclopentyl-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 133433606
4-(6-cyclopropylpyridazin-3-yl)-N-phenylpiperazine-1-carboxamide
CID 122279690
1-(4-cyclopropylphenyl)propan-2-one;2-(4-cyclopropylphenyl)-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;3-piperazin-1-yl-6-(trifluoromethyl)pyridazine
CID 164965524
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334296
N-(4-chlorophenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122336002
4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide
CID 136536230
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
2-(4-cyclopropylphenyl)-1-[2-methyl-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 155161650
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122334859
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336625
2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 155161643

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide (CID 155701537) is N-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide is O=C(Nc1ccc(C2CC2)cc1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1.
What is the InChIKey of N-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is GXALDKGDDKDUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c20-19(21,22)16-7-8-17(25-24-16)26-9-11-27(12-10-26)18(28)23-15-5-3-14(4-6-15)13-1-2-13/h3-8,13H,1-2,9-12H2,(H,23,28).
What are the key properties of N-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide?
N-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropylphenyl)-4-[6-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 155701537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).