[6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate

C19H23F6N5O3 — CID 87392314

IUPAC[6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
SMILESCC(C(=O)N1CCN(c2ccc(OC(=O)NCCC3CC3)nn2)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H23F6N5O3/c1-17(18(20,21)22,19(23,24)25)15(31)30-10-8-29(9-11-30)13-4-5-14(28-27-13)33-16(32)26-7-6-12-2-3-12/h4-5,12H,2-3,6-11H2,1H3,(H,26,32)
InChIKeyOEBMPLRFZVVYOR-UHFFFAOYSA-N
MW483.41 g/mol
LogP3.14
Rot. Bonds6

About [6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate

[6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate (PubChem CID 87392314) has the molecular formula C19H23F6N5O3 and a molecular weight of 483.41 g/mol. Its IUPAC name is [6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate.

Molecular Properties

Compound Name[6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
PubChem CID87392314
Molecular FormulaC19H23F6N5O3
Molecular Weight483.41 g/mol
Exact Mass483.17
IUPAC Name[6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
SMILESCC(C(=O)N1CCN(c2ccc(OC(=O)NCCC3CC3)nn2)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H23F6N5O3/c1-17(18(20,21)22,19(23,24)25)15(31)30-10-8-29(9-11-30)13-4-5-14(28-27-13)33-16(32)26-7-6-12-2-3-12/h4-5,12H,2-3,6-11H2,1H3,(H,26,32)
InChIKeyOEBMPLRFZVVYOR-UHFFFAOYSA-N
XLogP3.14
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
CID 67422287
[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
CID 67420410
[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate
CID 67418376
[6-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
CID 67420254
[6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(3-cyclopropylpropyl)carbamate
CID 67420744
[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-methoxy-3,3-dimethylbutyl)carbamate
CID 67418836
[6-[4-(2-nitrobenzoyl)piperazin-1-yl]pyridazin-3-yl] N-(3-methylbutyl)carbamate
CID 67417886
N-(2-cyclopropylethyl)-6-[4-[3-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11178786
[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(3-chloro-4-methylphenyl)carbamate
CID 67420230
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883287
N-(2-cyclopropylethyl)-6-[4-(3-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 11304116

Frequently Asked Questions

What is the IUPAC name of [6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate?
The IUPAC name of [6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate (CID 87392314) is [6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate.
What is the SMILES notation for [6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate?
The canonical SMILES for [6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate is CC(C(=O)N1CCN(c2ccc(OC(=O)NCCC3CC3)nn2)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate?
The InChIKey is OEBMPLRFZVVYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F6N5O3/c1-17(18(20,21)22,19(23,24)25)15(31)30-10-8-29(9-11-30)13-4-5-14(28-27-13)33-16(32)26-7-6-12-2-3-12/h4-5,12H,2-3,6-11H2,1H3,(H,26,32).
What are the key properties of [6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate?
[6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate has a molecular weight of 483.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate is sourced from PubChem (CID 87392314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).