[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

C23H25F3N6O2 — CID 31964223

IUPAC[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C23H25F3N6O2/c1-3-19-18(14-27-32(19)20-8-9-21(34-2)29-28-20)22(33)31-12-10-30(11-13-31)15-16-4-6-17(7-5-16)23(24,25)26/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyAMONLAVHTLXANL-UHFFFAOYSA-N
MW474.49 g/mol
LogP3.21
Rot. Bonds6

About [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 31964223) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 g/mol. Its IUPAC name is [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID31964223
Molecular FormulaC23H25F3N6O2
Molecular Weight474.49 g/mol
Exact Mass474.20
IUPAC Name[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C23H25F3N6O2/c1-3-19-18(14-27-32(19)20-8-9-21(34-2)29-28-20)22(33)31-12-10-30(11-13-31)15-16-4-6-17(7-5-16)23(24,25)26/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyAMONLAVHTLXANL-UHFFFAOYSA-N
XLogP3.21
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 31904438
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31956930
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 31903299
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 31860015
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 31857426
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]methanone
CID 31851380
(2-hydroxyphenyl)-[4-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55850480
[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31532998
(4-cyclopentylpiperazin-1-yl)-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 55584525
(4-ethylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 55433059
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(5-ethyl-1-phenylpyrazol-4-yl)methanone
CID 39694464
[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 31533813

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 31964223) is [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is CCc1c(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cnn1-c1ccc(OC)nn1.
What is the InChIKey of [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is AMONLAVHTLXANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c1-3-19-18(14-27-32(19)20-8-9-21(34-2)29-28-20)22(33)31-12-10-30(11-13-31)15-16-4-6-17(7-5-16)23(24,25)26/h4-9,14H,3,10-13,15H2,1-2H3.
What are the key properties of [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 474.49 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 31964223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).